General Information of the Compound
| Compound ID |
CP0871767
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| Compound Name |
2-chloro-N-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
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| Structure |
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| Formula |
C17H10ClN5OS
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| Molecular Weight |
367.821
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| Canonical SMILES |
O=C(Nc1nnc(-c2ccncc2)s1)c1cc(Cl)nc2ccccc12
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| InChI |
InChI=1S/C17H10ClN5OS/c18-14-9-12(11-3-1-2-4-13(11)20-14)15(24)21-17-23-22-16(25-17)10-5-7-19-8-6-10/h1-9H,(H,21,23,24)
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| InChIKey |
GKNABSCIYYIYLB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04119, DNA dC->dU-editing enzyme APOBEC-3A
Protein ID: PT07131, DNA dC->dU-editing enzyme APOBEC-3B
Protein ID: PT04106, DNA dC->dU-editing enzyme APOBEC-3G