General Information of the Compound
| Compound ID |
CP0506193
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| Compound Name |
N-[3-cyano-4-[3-(hydroxymethyl)phenyl]-6-(2-hydroxyphenyl)pyridin-2-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C24H17N3O3S
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| Molecular Weight |
427.485
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| Canonical SMILES |
OCc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccccc1O
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| InChI |
InChI=1S/C24H17N3O3S/c25-13-19-18(16-6-3-5-15(11-16)14-28)12-20(17-7-1-2-8-21(17)29)26-23(19)27-24(30)22-9-4-10-31-22/h1-12,28-29H,14H2,(H,26,27,30)
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| InChIKey |
XMZCGKIJGJHOFR-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