Molecular Properties | |
SMILES: | Cc1cc2c(N)nc(=O)n(CC(=O)Nc3cccc(Cl)c3)c2s1 |
MW: | 348.04 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 90.01 |
cLogP: | 2.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3643065659 |
MolPort: | MolPort-008-343-544 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-05-30 |
Synthesis Location: | mcule |
Shipped: | 2020-08-12 |
Filter82_pyridinium
aniline
AAR-POS-d2a4d1df-1
JAG-UCB-252a2f58-1
0.422
BEN-DND-61647d40-14
0.416
BEN-DND-61647d40-11
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MAR-TRE-74c6519b-62
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MAR-TRE-d0525fbf-58
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BEN-DND-61647d40-13
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JIN-POS-6dc588a4-1
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BEN-DND-02317c5c-11
0.367
BEN-DND-61647d40-12
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MAT-POS-bfb445d4-1
0.363
MAT-POS-3b92565d-14
0.363
BEN-DND-02317c5c-12
0.363
MIC-UNK-66895286-3
0.360
BEN-DND-61647d40-16
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MAR-TRE-3e4e6814-40
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EDJ-MED-49816e9b-1
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MAR-TRE-3e4e6814-83
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MIC-UNK-66895286-4
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BEN-DND-61647d40-15
0.348
PET-UNK-8922bd3c-1
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MIC-UNK-66895286-2
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MIC-UNK-66895286-5
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TRY-UNI-714a760b-9
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DAR-DIA-23aa0b97-12
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DAR-DIA-23aa0b97-13
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MIC-UNK-8373f97b-3
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BEN-VAN-ed886787-18
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MIC-UNK-10ba69b4-2
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MIC-UNK-8373f97b-1
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JAG-UCB-cedd89ab-8
0.300
TRY-UNI-714a760b-12
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JAG-UCB-ef2c0e8e-3
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MIC-UNK-10ba69b4-3
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MIC-UNK-10ba69b4-1
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SEA-TRI-6388eba6-1
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DAR-DIA-23aa0b97-14
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JOR-UNI-2fc98d0b-7
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JAN-GHE-83b26c96-19
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WAR-XCH-eb7b662f-7
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SEA-TRI-2dd971ce-1
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MAR-TRE-f5c2d31c-97
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JAN-GHE-d851b096-2
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JOH-UNI-c7afdb96-5
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BEN-DND-61647d40-19
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EDG-MED-0da5ad92-18
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MAR-TRE-3e4e6814-29
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ALP-POS-91609ae9-2
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SEA-TRI-5a552082-1
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AAR-UNI-c25c2f1e-46
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MAR-TRE-f5c2d31c-11
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RIT-AID-d1f3f5d2-1
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JAG-UCB-cedd89ab-6
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PET-UNK-8df914d1-4
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NAU-LAT-e1818702-7
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JAG-UCB-a3ef7265-17
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JAG-UCB-ef2c0e8e-10
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BEN-DND-61647d40-20
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MAR-TRE-f6f5f473-59
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JAN-GHE-5a013bed-9
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MAR-TRE-f6f5f473-3
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EDG-MED-0da5ad92-12
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TRY-UNI-9f475305-11
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JAN-GHE-1d98ec1c-7
0.271
LON-WEI-b8d98729-4
0.271
JAG-UCB-3b0e85f1-1
0.269
FAR-UNI-736b943a-7
0.269
NAU-LAT-4ce8bf23-1
0.269
AAR-POS-fca48359-9
0.269
MAR-TRE-74c6519b-31
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MAR-TRE-f6f5f473-44
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NAU-LAT-4ce8bf23-3
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JAG-UCB-cedd89ab-7
0.265
LOR-NOR-30067bb9-8
0.265
MAR-TRE-74c6519b-88
0.265
LUI-IND-a1be81af-2
0.265
MAR-TRE-04c86cea-43
0.263
MAR-TRE-d0525fbf-56
0.263
JAN-LUN-3e0f9c09-1
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JAN-LUN-8953ce76-6
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MAR-TRE-74c6519b-64
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JAG-UCB-a3ef7265-15
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EDG-MED-0da5ad92-13
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MAR-TRE-04c86cea-96
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MAR-TRE-b77b7921-90
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MAR-TRE-4b834d9a-12
0.259
WIL-LEE-1f71e281-3
0.258
EDJ-MED-49816e9b-5
0.258
EDJ-MED-49816e9b-3
0.258
ALP-POS-f13221e1-4
0.258
EDG-MED-0da5ad92-5
0.258
EDJ-MED-b24713dc-3
0.257
RUB-POS-1325a9ea-15
0.257
MAR-TRE-d0525fbf-48
0.257
MAR-TRE-74c6519b-43
0.256
MAR-TRE-b77b7921-60
0.256
MAR-TRE-4b834d9a-31
0.255
WAR-XCH-bdd24732-24
0.255
MAR-TRE-4b834d9a-96
0.255
SAM-UNK-2684b532-3
0.255
TRY-UNI-9f475305-3
0.255