General Information of the Compound
| Compound ID |
CP0446438
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| Compound Name |
N-[4-[3-(4-aminobutanoylamino)phenyl]-3-cyano-6-(2-hydroxyphenyl)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 |
NCCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccccc1O
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| InChI |
InChI=1S/C27H23N5O3S/c28-12-4-11-25(34)30-18-7-3-6-17(14-18)20-15-22(19-8-1-2-9-23(19)33)31-26(21(20)16-29)32-27(35)24-10-5-13-36-24/h1-3,5-10,13-15,33H,4,11-12,28H2,(H,30,34)(H,31,32,35)
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| InChIKey |
FPOGTNUPLKGKAG-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