General Information of the Compound
| Compound ID |
CP0506196
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| Compound Name |
N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(2-hydroxy-4-methoxyphenyl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C29H25N5O4
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| Molecular Weight |
507.55
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| Canonical SMILES |
COc1ccc(c(O)c1)-c1cc(-c2cccc(NC(=O)CCN)c2)c(C#N)c(NC(=O)c2ccccc2)n1
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| InChI |
InChI=1S/C29H25N5O4/c1-38-21-10-11-22(26(35)15-21)25-16-23(19-8-5-9-20(14-19)32-27(36)12-13-30)24(17-31)28(33-25)34-29(37)18-6-3-2-4-7-18/h2-11,14-16,35H,12-13,30H2,1H3,(H,32,36)(H,33,34,37)
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| InChIKey |
JFQUHXKGXNRVSU-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