Molecular Properties | |
SMILES: | Cc1c(C(=O)Nc2ccccc2)cnc2nc(SCC#N)nn12 |
MW: | 324.08 |
Fraction sp3: | 0.13 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 95.97 |
cLogP: | 2.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4802058430 |
MolPort: | MolPort-000-848-095 |
MAR-TRE-0fda4e82-54
0.692
MAR-TRE-6c5ef77a-49
0.620
MAR-TRE-0fda4e82-84
0.363
JOH-UNI-522b0723-12
0.333
MAR-TRE-14ce9fd6-61
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MAR-TRE-4f781e27-98
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JOH-UNI-522b0723-8
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JOH-UNI-522b0723-7
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JOH-UNI-522b0723-10
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MAR-TRE-1c920f6f-42
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JOH-UNI-522b0723-9
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JOH-UNI-522b0723-11
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JOH-UNI-522b0723-13
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CLI-UNI-032f7715-2
0.303
WIL-UNI-2a57d06c-4
0.291
CHR-SOS-7098f804-7
0.289
MAK-UNK-30aad1f1-2
0.286
JOH-SUS-bab12148-1
0.282
MAK-UNK-30aad1f1-3
0.273
CHR-SOS-7098f804-9
0.270
MAK-UNK-30aad1f1-17
0.269
SWA-SYN-59528602-3
0.267
JOH-UNI-c7afdb96-12
0.267
SWA-SYN-40d44a84-3
0.267
GIA-UNK-3f36037a-7
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PET-SGC-0f1d26ed-1
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MAR-TRE-a3327163-43
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KEI-TRE-d5e2018a-3
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MAR-TRE-0fda4e82-1
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CAS-DEP-e179b1f5-3
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AAR-POS-d2a4d1df-11
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PET-SGC-0f1d26ed-2
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MAK-UNK-30aad1f1-4
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MAK-UNK-129dcd6f-15
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SID-ELM-8b394441-6
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CAS-DEP-167c18e3-2
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MAK-UNK-30aad1f1-16
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MAR-TRE-f5c2d31c-17
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HAN-NEW-5f56c3bc-1
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MAR-TRE-74c6519b-52
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MAT-POS-b5746674-117
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SID-ELM-8b394441-7
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TRY-UNI-714a760b-8
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MAR-TRE-4f781e27-49
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SAN-PRS-52b81272-2
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MAR-TRE-14ce9fd6-78
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MAR-TRE-14ce9fd6-59
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MAR-TRE-0fda4e82-24
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WIL-UNI-5578df48-15
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SID-ELM-8b394441-5
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SID-ELM-2583a2cd-6
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MAR-TRE-a3327163-24
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MAX-MCD-16e3709a-1
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MAK-UNK-30aad1f1-15
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MAR-TRE-0fda4e82-31
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NAU-LAT-64f4b287-8
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MAR-TRE-a3327163-37
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MAR-TRE-dab8f6ea-3
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MAR-TRE-0fda4e82-72
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MAR-TRE-6c5ef77a-45
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SAD-SAT-6b5a89f0-8
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MAR-TRE-14ce9fd6-43
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MAK-UNK-129dcd6f-17
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MAR-TRE-6c5ef77a-67
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MAR-TRE-f5c2d31c-84
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SID-ELM-b654bfa2-2
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WIL-UNI-5578df48-10
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DAR-DIA-23aa0b97-20
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MAR-TRE-b77b7921-82
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SID-ELM-2583a2cd-7
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TRY-UNI-714a760b-4
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ALE-HEI-f28a35b5-1
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MAR-TRE-a3327163-40
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MAR-TRE-0fda4e82-60
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MAR-TRE-6c5ef77a-35
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CHR-SOS-7098f804-8
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MAR-TRE-74c6519b-100
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MAR-TRE-14ce9fd6-17
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MAR-TRE-a3327163-46
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MAR-TRE-1c920f6f-20
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MAR-TRE-0fda4e82-76
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MAR-TRE-6c5ef77a-14
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SID-ELM-8b394441-12
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MAR-TRE-1c920f6f-47
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SID-ELM-b654bfa2-3
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JAG-SYN-9c2cd0bd-4
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JOH-UNI-c7afdb96-3
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JAG-SYN-9c2cd0bd-9
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MAR-TRE-2fd8122f-73
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MAR-TRE-14ce9fd6-68
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MAR-TRE-a3327163-48
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MAR-TRE-0fda4e82-89
0.235
SID-ELM-8b394441-8
0.235
MAR-TRE-6c5ef77a-93
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LIL-FNM-e1865f24-1
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MAR-TRE-1c920f6f-26
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BAR-COM-655b106d-2
0.233
MAR-TRE-0fda4e82-96
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MAR-TRE-0fda4e82-90
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SID-ELM-2583a2cd-5
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