Molecular Properties | |
SMILES: | CC1CCN(C(=O)CSc2ncccc2C#N)CC1 |
MW: | 275.11 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 56.99 |
cLogP: | 2.3 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5747228307 |
MolPort: | MolPort-002-313-605 |
MAR-TRE-14ce9fd6-1
0.528
MAR-TRE-1c920f6f-82
0.506
MAR-TRE-0fda4e82-89
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MAR-TRE-1c920f6f-3
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MAR-TRE-1c920f6f-47
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MAR-TRE-0fda4e82-90
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MAR-TRE-6c5ef77a-93
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MAR-TRE-6c5ef77a-66
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MAR-TRE-1c920f6f-42
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MAR-TRE-6c5ef77a-64
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MAR-TRE-6c5ef77a-26
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MAR-TRE-1c920f6f-74
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MAR-TRE-1c920f6f-26
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MAR-TRE-14ce9fd6-43
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MAR-TRE-6c5ef77a-20
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MAR-TRE-6c5ef77a-67
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MAR-TRE-a3327163-15
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MAR-TRE-6c5ef77a-96
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MAR-TRE-1c920f6f-49
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MAR-TRE-0fda4e82-76
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MAR-TRE-6c5ef77a-14
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MAR-TRE-14ce9fd6-27
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MAR-TRE-6c5ef77a-58
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MAR-TRE-6c5ef77a-33
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MAR-TRE-6c5ef77a-46
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MAR-TRE-14ce9fd6-37
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MAR-TRE-1c920f6f-30
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MAR-TRE-6c5ef77a-55
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MAR-TRE-0fda4e82-47
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MAR-TRE-1c920f6f-44
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MAR-TRE-0fda4e82-72
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MAR-TRE-0fda4e82-29
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MAR-TRE-6c5ef77a-51
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SAD-SAT-d8079f6f-4
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MAR-TRE-f5c2d31c-53
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ANT-DIA-62e4526e-1
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MAR-TRE-3e4e6814-20
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MAR-TRE-6c5ef77a-40
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MAR-TRE-6c5ef77a-8
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MAR-TRE-0fda4e82-8
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MAR-TRE-a3327163-24
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MAR-TRE-a3327163-37
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VIK-SYN-9a3d118a-8
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WAR-XCH-72a8c209-6
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WAR-XCH-72a8c209-11
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MAK-UNK-6ca90168-9
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MAR-TRE-6a44bbf2-7
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MAR-TRE-a9136c7b-43
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AAR-POS-d2a4d1df-37
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NIC-BIO-25446079-2
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MAK-UNK-6ca90168-8
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MAR-TRE-a3327163-5
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MAR-TRE-6c5ef77a-37
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MAR-TRE-1c920f6f-76
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MAR-TRE-1c920f6f-96
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MAK-UNK-6ca90168-7
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MAR-TRE-1c920f6f-17
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SAD-SAT-89668ff1-3
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MAR-TRE-d0525fbf-93
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MAR-TRE-a3327163-61
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MAR-TRE-0fda4e82-6
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LON-WEI-120e5cf5-21
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JOR-UNI-61e7b1d5-22
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MAR-TRE-1c920f6f-56
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MAR-TRE-1c920f6f-15
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MAR-TRE-fd17a9b8-23
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SAD-SAT-f2e2579e-4
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JOR-UNI-61e7b1d5-23
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JON-UIO-066ce08b-3
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MAR-TRE-74c6519b-44
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MAR-TRE-1c920f6f-13
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MAR-TRE-0fda4e82-12
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MAK-UNK-849bee6c-1
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MAR-TRE-14ce9fd6-4
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MAR-TRE-6c5ef77a-71
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NIC-BIO-25446079-4
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WAR-XCH-72a8c209-10
0.258
MAK-UNK-6ca90168-6
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MAR-TRE-14ce9fd6-87
0.256
MAR-TRE-f5c2d31c-64
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DAV-CRI-d1e0885a-1
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IND-SYN-6c8299e8-4
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MAR-TRE-0fda4e82-82
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NJA-MAN-b8640440-26
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MAK-UNK-10dfa458-38
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MAK-UNK-6ca90168-22
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NIR-THE-0d6461ce-6
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MAR-TRE-1c920f6f-25
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MAR-TRE-14ce9fd6-65
0.250
NIR-THE-0d6461ce-7
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MAR-TRE-6c5ef77a-27
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TAT-ENA-80bfd3e5-10
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MAR-TRE-a3327163-20
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MAR-TRE-0fda4e82-52
0.247
GIA-UNK-5ec6c2b8-5
0.247
KOV-VNK-5e1a909f-49
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MAR-TRE-0fda4e82-63
0.245
SAD-SAT-89668ff1-1
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MAK-UNK-10dfa458-40
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MAR-TRE-67513f76-39
0.244