Molecular Properties | |
SMILES: | N#Cc1ccc(CSc2ccc3ccccc3n2)cc1 |
MW: | 276.07 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.68 |
cLogP: | 4.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9296172743 |
MolPort: | MolPort-008-045-539 |
MAR-TRE-14ce9fd6-47
0.493
MAR-TRE-14ce9fd6-13
0.465
MAR-TRE-14ce9fd6-84
0.448
MAR-TRE-14ce9fd6-29
0.410
MAR-TRE-14ce9fd6-38
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MAR-TRE-14ce9fd6-52
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MAR-TRE-14ce9fd6-55
0.369
MAR-TRE-14ce9fd6-73
0.359
MAR-TRE-14ce9fd6-34
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MAR-TRE-14ce9fd6-41
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MAR-TRE-14ce9fd6-21
0.342
MAR-TRE-14ce9fd6-33
0.338
MAR-TRE-14ce9fd6-35
0.338
MAR-TRE-1c920f6f-39
0.333
MAR-TRE-14ce9fd6-8
0.329
MAR-TRE-1c920f6f-43
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MAR-TRE-14ce9fd6-62
0.317
MAR-TRE-14ce9fd6-9
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MAR-TRE-1c920f6f-27
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MAR-TRE-1c920f6f-65
0.301
MAR-TRE-14ce9fd6-31
0.291
RAL-THA-2d450e86-5
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MAR-TRE-14ce9fd6-24
0.284
MAR-TRE-14ce9fd6-25
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MAR-TRE-1c920f6f-31
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MAR-TRE-2fd8122f-69
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MAR-TRE-14ce9fd6-58
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MAR-TRE-1c920f6f-97
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MAR-TRE-fffca54f-77
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MAR-TRE-1c920f6f-75
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MAR-TRE-14ce9fd6-48
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MAR-TRE-14ce9fd6-77
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MAR-TRE-14ce9fd6-50
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MAR-TRE-14ce9fd6-95
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MAR-TRE-1c920f6f-99
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MAR-TRE-14ce9fd6-65
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MAK-UNK-f983951f-23
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LIL-FNM-97d58b1d-1
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MAR-TRE-0fda4e82-62
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MAR-TRE-92684b97-24
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NIC-BIO-a68395b7-2
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MAR-TRE-0fda4e82-23
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MAR-TRE-0fda4e82-14
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MAR-TRE-14ce9fd6-57
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LON-WEI-4d77710c-32
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LON-WEI-5e7d1b3e-32
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MAR-TRE-1c920f6f-14
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MAK-UNK-6ca90168-14
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DRR-IMP-38dce17f-7
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MAR-TRE-a3327163-32
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MAR-TRE-a3327163-43
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MAR-TRE-a3327163-37
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MAR-TRE-0fda4e82-11
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UNK-UNK-2ede4078-17
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MAR-TRE-14ce9fd6-23
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LIL-FNM-c6f69784-1
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MAR-TRE-a3327163-9
0.209
MAR-TRE-14ce9fd6-28
0.209
NEL-UNI-1464a899-3
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MAR-TRE-0fda4e82-77
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MAR-TRE-0fda4e82-81
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EDJ-MED-ee07cf00-5
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MAR-TRE-14ce9fd6-30
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MAR-TRE-a3327163-42
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PET-SGC-0f1d26ed-2
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MAR-TRE-a3327163-53
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MAR-TRE-0fda4e82-56
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TRY-UNI-1fd04853-8
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MAR-TRE-1c920f6f-34
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PET-UNK-6314f867-2
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MAT-POS-c20a539d-5
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AAR-POS-d2a4d1df-21
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JOO-IND-b2fae8f6-1
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NEL-UNI-1464a899-8
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JOO-IND-b2fae8f6-2
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MAR-TRE-f5c2d31c-30
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TRY-UNI-9f475305-10
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MAR-TRE-0fda4e82-84
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MAR-TRE-a3327163-90
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RAL-THA-2d450e86-12
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MAK-UNK-be3f299e-6
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MAR-TRE-14ce9fd6-16
0.200
ARI-TAT-5792557e-27
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ALP-POS-780445ae-5
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WAR-XCH-bdd24732-18
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GAB-REV-df64cf17-15
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DAR-DIA-23aa0b97-19
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SWA-SYN-d2e6fa14-7
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MAR-TRE-0fda4e82-34
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SWA-SYN-6423ea73-7
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MAR-TRE-1c920f6f-22
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ARI-TAT-5792557e-26
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DAR-DIA-0d514e7d-11
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DAR-DIA-0d514e7d-8
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MAR-TRE-1c920f6f-61
0.196
MAR-TRE-14ce9fd6-15
0.195
JOH-UNK-14e6adc5-2
0.195
MIH-UNI-6b9ca91a-5
0.195
ANN-UNI-26382800-3
0.195
MAR-TRE-1c920f6f-52
0.195