Molecular Properties | |
SMILES: | Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCc1cccnc1)C2 |
MW: | 298.14 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 78.95 |
cLogP: | 0.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3616247153 |
MolPort: | MolPort-020-189-537 |
MAR-TRE-c8530538-100
0.737
MAR-TRE-c8530538-1
0.500
MAR-TRE-c8530538-88
0.494
MAR-TRE-c8530538-6
0.406
MAR-TRE-c8530538-17
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MAR-TRE-c8530538-98
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MAR-TRE-c8530538-40
0.361
DRR-IMP-38dce17f-4
0.325
MAR-TRE-c8530538-66
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MAR-TRE-c8530538-7
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DAV-CRI-1c77f7a9-5
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MAR-TRE-c8530538-54
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MAR-TRE-4f781e27-29
0.300
MAR-TRE-0fda4e82-46
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MAR-TRE-c8530538-81
0.295
SAD-SAT-29425be4-27
0.294
MAR-TRE-fd17a9b8-80
0.292
SAD-SAT-b55127ae-4
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MAR-TRE-c8530538-47
0.287
BAR-COM-4e090d3a-8
0.284
SAD-SAT-135344c3-7
0.284
PEI-IMP-ca0b2813-1
0.284
MAR-TRE-c8530538-15
0.283
BAR-COM-21d20d65-5
0.283
MAR-TRE-c8530538-3
0.282
DAV-CRI-1c77f7a9-8
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GAB-REV-70cc3ca5-13
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MAR-TRE-c8530538-63
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MAR-TRE-fd17a9b8-69
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MAK-UNK-e4a48a85-25
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STE-KUL-2e0d2e88-3
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DAV-CRI-1c77f7a9-1
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MAR-TRE-c8530538-93
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PEI-IMP-ca0b2813-4
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MAK-UNK-e4a48a85-27
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MAR-TRE-c8530538-9
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ANT-DIA-b7f58f21-1
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MAR-TRE-c8530538-19
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DAV-CRI-1c77f7a9-4
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MAR-TRE-dab8f6ea-28
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MAR-TRE-c8530538-92
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MAR-TRE-2fd8122f-93
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ANT-DIA-3c79be55-2
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MAR-TRE-87acfbcc-76
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MAR-UCB-195bc32d-12
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SIM-SYN-3099a863-3
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NIM-UNI-05f93fcc-6
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MAR-TRE-c8530538-2
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MAT-POS-ea426761-85
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MAR-TRE-3159af1a-43
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MAR-TRE-a3327163-5
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MAR-TRE-14ce9fd6-42
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MAR-TRE-c8530538-32
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ALP-POS-c0c213c9-10
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WAR-XCH-79d12f6e-8
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MAR-TRE-c8530538-91
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DUN-NEW-f8ce3686-15
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ALP-POS-c0c213c9-19
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ALE-HEI-f28a35b5-16
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WAR-XCH-b0339bbe-19
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MIH-UNI-e573136b-3
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JOH-IMS-62aeb97d-4
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MAR-TRE-fd17a9b8-79
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JAV-UNI-4503e1e6-1
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MAR-TRE-2fd8122f-80
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MIH-UNI-3396182e-7
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MAR-TRE-fd17a9b8-62
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MAR-TRE-9d18ae8c-35
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MAR-TRE-87acfbcc-66
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JAG-UCB-cedd89ab-4
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THO-SYG-f9b2970d-2
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THO-SYG-f9b2970d-4
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MAR-TRE-c8530538-44
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SID-ELM-1f105489-3
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LON-WEI-120e5cf5-11
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DAR-DIA-842b4336-7
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WAR-XCH-bdd24732-16
0.241
MAT-POS-ea426761-84
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MAT-POS-ea426761-94
0.241
BAR-COM-21d20d65-2
0.240
MAK-UNK-009ebe36-8
0.240
BAR-COM-4e090d3a-69
0.240
SID-ELM-1f105489-6
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SID-ELM-1f105489-5
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MAR-TRE-c8530538-65
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MAR-TRE-04c86cea-96
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MAR-TRE-c8530538-5
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MAR-TRE-2fd8122f-68
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MAR-TRE-4f781e27-34
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MAR-TRE-04c86cea-59
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MAR-TRE-423310b6-43
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MAK-UNK-af83ef51-6
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DUN-NEW-f8ce3686-18
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MAR-TRE-c8530538-80
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MAK-UNK-ec98eaf6-26
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MAR-TRE-f6f5f473-71
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DAR-DIA-842b4336-3
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MAR-TRE-c8530538-8
0.236
MAR-TRE-3159af1a-19
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MAR-TRE-3159af1a-42
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