General Information of the Compound
| Compound ID |
CP0903157
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| Compound Name |
6-hydroxy-N-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)nicotinamide
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| Structure |
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| Formula |
C13H9N5O2S
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| Molecular Weight |
299.315
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| Canonical SMILES |
O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(O)nc1
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| InChI |
InChI=1S/C13H9N5O2S/c19-10-2-1-9(7-15-10)11(20)16-13-18-17-12(21-13)8-3-5-14-6-4-8/h1-7H,(H,15,19)(H,16,18,20)
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| InChIKey |
KFLMJFQTRRKNRR-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