Molecular Properties | |
SMILES: | N#Cc1ccc(CSc2nc3c(c(=O)[nH]2)CCC3)cc1 |
MW: | 283.08 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.54 |
cLogP: | 2.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6431544310 |
MolPort: | MolPort-004-919-227 |
MAR-TRE-14ce9fd6-21
0.879
MAR-TRE-14ce9fd6-13
0.480
MAR-TRE-14ce9fd6-73
0.449
MAR-TRE-14ce9fd6-35
0.447
MAR-TRE-14ce9fd6-52
0.433
MAR-TRE-14ce9fd6-38
0.429
MAR-TRE-1c920f6f-39
0.372
MAR-TRE-14ce9fd6-29
0.348
MAR-TRE-14ce9fd6-44
0.338
MAR-TRE-14ce9fd6-55
0.333
MAR-TRE-14ce9fd6-84
0.316
MAR-TRE-14ce9fd6-47
0.310
MAR-TRE-14ce9fd6-41
0.306
MAR-TRE-14ce9fd6-62
0.304
MAR-TRE-1c920f6f-43
0.301
MAR-TRE-14ce9fd6-34
0.293
MAR-TRE-14ce9fd6-9
0.291
MAR-TRE-1c920f6f-27
0.289
MAR-TRE-14ce9fd6-8
0.273
MAR-TRE-0fda4e82-10
0.271
MAR-TRE-14ce9fd6-18
0.264
MAR-TRE-14ce9fd6-12
0.256
MAR-TRE-1c920f6f-16
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MAR-TRE-1c920f6f-97
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MAR-TRE-1c920f6f-38
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MAR-TRE-14ce9fd6-50
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MAR-TRE-14ce9fd6-20
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MAR-TRE-14ce9fd6-65
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MAR-TRE-14ce9fd6-42
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MAR-TRE-14ce9fd6-10
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MAR-TRE-0fda4e82-67
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MAR-TRE-14ce9fd6-22
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MAR-TRE-1c920f6f-65
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MAR-TRE-a3327163-27
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RAL-THA-2d450e86-5
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MAR-TRE-0fda4e82-61
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MAR-TRE-0fda4e82-40
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MAK-UNK-f983951f-23
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MAR-TRE-2fd8122f-69
0.227
MAR-TRE-14ce9fd6-90
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MAR-TRE-6c5ef77a-2
0.227
MAK-UNK-be3f299e-6
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DRR-IMP-38dce17f-7
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MAK-UNK-6ca90168-14
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MAR-TRE-14ce9fd6-40
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MAR-TRE-0fda4e82-60
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MAR-TRE-14ce9fd6-77
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MAR-TRE-1c920f6f-56
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MAR-TRE-0fda4e82-11
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MAR-TRE-14ce9fd6-19
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MAR-TRE-14ce9fd6-93
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MAR-TRE-0fda4e82-23
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MAR-TRE-14ce9fd6-15
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NEL-UNI-1464a899-3
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MAR-TRE-1c920f6f-85
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MAR-TRE-0fda4e82-14
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MAR-TRE-0fda4e82-77
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MAR-TRE-1c920f6f-25
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MAR-TRE-e86a56b5-80
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MAR-TRE-14ce9fd6-48
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MAR-TRE-1c920f6f-13
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MAR-TRE-a3327163-36
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MAR-TRE-a3327163-76
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MAR-TRE-0fda4e82-93
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MAR-TRE-6c5ef77a-15
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MAT-POS-ea426761-10
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LON-WEI-4d77710c-68
0.216
LON-WEI-5e7d1b3e-68
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LON-WEI-5e7d1b3e-32
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LON-WEI-4d77710c-32
0.214
NEL-UNI-1464a899-8
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MAR-TRE-a3327163-92
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MAR-TRE-14ce9fd6-92
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AAR-POS-d2a4d1df-21
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MAR-TRE-14ce9fd6-75
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MAR-TRE-14ce9fd6-96
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MAR-TRE-c8530538-100
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MAR-TRE-0fda4e82-94
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SWA-SYN-6423ea73-7
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MAR-TRE-6c5ef77a-23
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SWA-SYN-d2e6fa14-7
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MAR-TRE-14ce9fd6-79
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MAR-TRE-14ce9fd6-11
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MAR-TRE-a3327163-32
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MAR-TRE-0fda4e82-2
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MAR-TRE-0fda4e82-24
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MAR-TRE-6c5ef77a-12
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MAR-TRE-a3327163-37
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MAR-TRE-6c5ef77a-10
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MAR-TRE-14ce9fd6-80
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MAR-TRE-14ce9fd6-76
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MAR-TRE-6c5ef77a-4
0.207
MAR-TRE-14ce9fd6-23
0.207
MAR-TRE-6c5ef77a-92
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MAR-TRE-0fda4e82-96
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MAR-TRE-14ce9fd6-81
0.205
MAR-TRE-1c920f6f-33
0.202
MAR-TRE-14ce9fd6-57
0.202
MAR-TRE-1c920f6f-31
0.202
TRY-UNI-1fd04853-8
0.202