Molecular Properties | |
SMILES: | Cn1cc(CC(=O)Nc2cccnc2)cn1 |
MW: | 216.244 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 59.81 |
cLogP: | 0.9963 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z993021208 |
Enamine Extended REAL: | s_22____57778____2663596 |
Mcule Ultimate: | KYTKVYDBIADWBF-UHFFFAOYSA-N |
MolPort: | MolPort-047-311-657 |
SAN-PRS-52b81272-2
0.571
SAD-SAT-24589cd1-4
0.561
MAK-UNK-a7b37c5e-4
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DAR-DIA-842b4336-2
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MAK-UNK-a7b37c5e-5
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DAR-DIA-842b4336-10
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JOH-IMS-62aeb97d-5
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MAK-UNK-c749d764-17
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DAR-DIA-23aa0b97-16
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MAK-UNK-c749d764-27
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MAR-TRE-67513f76-81
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EDG-MED-0da5ad92-2
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ALE-HEI-f28a35b5-5
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MAR-TRE-2fd8122f-37
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MAK-UNK-ca11b4f7-1
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MAR-TRE-67513f76-13
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DAR-DIA-842b4336-12
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MAR-TRE-67513f76-92
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MAK-UNK-c749d764-14
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MAK-UNK-a7b37c5e-2
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DAR-DIA-842b4336-16
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MAR-TRE-9c797165-57
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DAR-DIA-23aa0b97-17
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ANN-UNI-26382800-5
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MAK-UNK-a7b37c5e-1
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ALE-HEI-f28a35b5-14
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MAR-TRE-2fd8122f-39
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MAR-TRE-9c797165-94
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CHA-MCP-85291e1d-2
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DAR-DIA-842b4336-13
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CHA-MCP-85291e1d-1
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CHA-MCP-85291e1d-5
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MAK-UNK-c749d764-13
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CHR-SOS-f7373dd1-5
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MAR-TRE-7f7bb9f0-12
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MAK-UNK-c749d764-23
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DAR-DIA-842b4336-14
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MED-UNK-e6e8ef8a-6
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AUS-ARG-7cfdce8f-11
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MAR-TRE-7f7bb9f0-15
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MAR-TRE-9c797165-52
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MAR-TRE-2fd8122f-78
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CHR-SOS-f7373dd1-2
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MED-UNK-e6e8ef8a-3
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MAR-TRE-2fd8122f-99
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MAR-TRE-3e4e6814-79
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DAR-DIA-842b4336-15
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KAL-WAB-eb347ebe-1
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MAR-TRE-67513f76-73
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MAR-TRE-f6f5f473-95
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MAR-TRE-2fd8122f-35
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FRA-FAC-9ed5a63a-1
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AAR-POS-d2a4d1df-13
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ALE-HEI-f28a35b5-9
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MAR-TRE-4b834d9a-31
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MAR-TRE-67513f76-20
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MAK-UNK-ca11b4f7-3
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MAK-UNK-d1e89583-1
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MAR-TRE-67513f76-93
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MED-UNK-e6e8ef8a-4
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MED-UNK-e6e8ef8a-5
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AAR-POS-d2a4d1df-11
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ALE-HEI-f28a35b5-16
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KEI-TRE-d5e2018a-68
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MAR-TRE-9c797165-14
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DUN-NEW-f8ce3686-9
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MED-UNK-e6e8ef8a-2
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FRA-FAC-9ed5a63a-2
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MAR-TRE-2fd8122f-94
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MAR-TRE-74c6519b-55
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CHR-SOS-59746812-2
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WIL-UNI-5578df48-15
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KEI-TRE-d5e2018a-74
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MAR-TRE-d0525fbf-64
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MAR-TRE-9c797165-60
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MAR-TRE-2fd8122f-46
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MAR-TRE-7f7bb9f0-49
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MAR-TRE-67513f76-22
0.410
CHR-SOS-59746812-6
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MAR-TRE-3e4e6814-50
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MAR-TRE-9c797165-21
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MAR-TRE-7f7bb9f0-53
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MAK-UNK-ca11b4f7-2
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ALE-HEI-f28a35b5-15
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CHR-SOS-59746812-1
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KEI-TRE-d5e2018a-45
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CHR-SOS-70e4c98a-6
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MAR-TRE-d0525fbf-91
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MAR-TRE-74c6519b-58
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MAR-TRE-04c86cea-41
0.400
MAR-TRE-2fd8122f-47
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MAR-TRE-b77b7921-52
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NAU-LAT-64f4b287-10
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CHR-SOS-59746812-5
0.397
MAR-TRE-67513f76-69
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MAR-TRE-2fd8122f-80
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MAR-TRE-2fd8122f-72
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MAR-TRE-7f7bb9f0-46
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MAR-TRE-74c6519b-47
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CHR-SOS-f7373dd1-4
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