General Information of the Compound
| Compound ID |
CP0562910
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| Compound Name |
(3S)-3-[[3-(4-chlorophenyl)benzoyl]amino]-3-pyridin-3-ylpropanoic acid
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| Formula |
C21H17ClN2O3
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| Molecular Weight |
380.831
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| Canonical SMILES |
OC(=O)C[C@H](NC(=O)c1cccc(c1)-c1ccc(Cl)cc1)c1cccnc1
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| InChI |
InChI=1S/C21H17ClN2O3/c22-18-8-6-14(7-9-18)15-3-1-4-16(11-15)21(27)24-19(12-20(25)26)17-5-2-10-23-13-17/h1-11,13,19H,12H2,(H,24,27)(H,25,26)/t19-/m0/s1
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| InChIKey |
ZOPOXKJETIWBQP-IBGZPJMESA-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