General Information of the Compound
| Compound ID |
CP0325308
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| Compound Name |
(S)-Phenyl-[(2-phenyl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
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| Structure |
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| Formula |
C25H20N2O3
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| Molecular Weight |
396.446
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| Canonical SMILES |
COC(=O)[C@@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)/t23-/m0/s1
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| InChIKey |
IUMQXQJZIHWLIN-QHCPKHFHSA-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
Protein ID: PT01199, Neuromedin-K receptor
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor