General Information of the Compound
| Compound ID |
CP0472475
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| Compound Name |
N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(2-hydroxy-4-methylphenyl)pyridin-2-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C27H23N5O3S
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| Molecular Weight |
497.58
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| Canonical SMILES |
Cc1ccc(c(O)c1)-c1cc(-c2cccc(NC(=O)CCN)c2)c(C#N)c(NC(=O)c2cccs2)n1
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| InChI |
InChI=1S/C27H23N5O3S/c1-16-7-8-19(23(33)12-16)22-14-20(17-4-2-5-18(13-17)30-25(34)9-10-28)21(15-29)26(31-22)32-27(35)24-6-3-11-36-24/h2-8,11-14,33H,9-10,28H2,1H3,(H,30,34)(H,31,32,35)
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| InChIKey |
HYRQMHQVTRODKF-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