Molecular Properties | |
SMILES: | COc1cc(OC)c(C2=NOC(C(=O)Nc3cc(C)n(CC(=O)Nc4cccnc4)n3)C2)cc1Cl |
MW: | 498.14 |
Fraction sp3: | 0.26 |
HBA: | 9 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 128.96 |
cLogP: | 3.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7807657442 |
MolPort: | MolPort-002-288-703 |
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-59
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MAR-TRE-4b834d9a-79
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KEI-TRE-d5e2018a-26
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KEI-TRE-d5e2018a-67
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KEI-TRE-d5e2018a-39
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KEI-TRE-d5e2018a-6
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MAR-TRE-2fd8122f-9
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MAR-TRE-7f7bb9f0-84
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MAR-TRE-2fd8122f-35
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KEI-TRE-d5e2018a-33
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KEI-TRE-d5e2018a-75
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MAR-TRE-67513f76-55
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KEI-TRE-d5e2018a-18
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KEI-TRE-d5e2018a-31
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MAR-TRE-3e4e6814-50
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MAR-TRE-9c797165-14
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MAR-TRE-d0525fbf-84
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KEI-TRE-d5e2018a-84
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KEI-TRE-d5e2018a-60
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MAR-TRE-74c6519b-63
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MAR-TRE-7f7bb9f0-97
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TAM-UNI-c140e31a-7
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KEI-TRE-d5e2018a-88
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MAR-TRE-9c797165-52
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SAD-SAT-cefd50cc-6
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MAR-TRE-74c6519b-17
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KEI-TRE-d5e2018a-95
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MAR-TRE-d0525fbf-92
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SAD-SAT-689b7d5a-7
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NAU-LAT-64f4b287-10
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MAK-UNK-a7b37c5e-1
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DAR-DIA-23aa0b97-16
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MAR-TRE-d0525fbf-45
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DAR-DIA-842b4336-11
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TAM-UNI-c140e31a-1
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MAR-TRE-4b834d9a-96
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DAR-DIA-842b4336-2
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JOH-IMS-62aeb97d-5
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DAR-DIA-842b4336-16
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MAR-TRE-04c86cea-40
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MAR-TRE-2fd8122f-39
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MAR-TRE-2fd8122f-50
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MAR-TRE-7f7bb9f0-90
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TAM-UNI-c140e31a-12
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MAK-UNK-a7b37c5e-5
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