General Information of the Compound
| Compound ID |
CP0388016
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| Compound Name |
3-Phenyl-3-[(2-phenyl-quinoline-4-carbonyl)-amino]-propionic acid methyl ester
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| Structure |
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| Formula |
C26H22N2O3
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| Molecular Weight |
410.473
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| Canonical SMILES |
COC(=O)CC(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H22N2O3/c1-31-25(29)17-24(19-12-6-3-7-13-19)28-26(30)21-16-23(18-10-4-2-5-11-18)27-22-15-9-8-14-20(21)22/h2-16,24H,17H2,1H3,(H,28,30)
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| InChIKey |
KMYASPPGBOISOT-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