General Information of the Compound
| Compound ID |
CP0958865
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| Compound Name |
N-Benzyl-2-(3-carbamoyl-4-(piperidin-1-yl)phenyl)-3-hydroxy-4-oxo-1,4-dihydroquinoline-7-carboxamide
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| Structure |
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| Formula |
C29H28N4O4
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| Molecular Weight |
496.567
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| Canonical SMILES |
NC(=O)c1cc(-c2[nH]c3cc(C(=O)NCc4ccccc4)ccc3c(=O)c2O)ccc1N1CCCCC1
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| InChI |
InChI=1S/C29H28N4O4/c30-28(36)22-15-19(10-12-24(22)33-13-5-2-6-14-33)25-27(35)26(34)21-11-9-20(16-23(21)32-25)29(37)31-17-18-7-3-1-4-8-18/h1,3-4,7-12,15-16,35H,2,5-6,13-14,17H2,(H2,30,36)(H,31,37)(H,32,34)
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| InChIKey |
VYNPGCZPSZTZMT-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