General Information of the Compound
| Compound ID |
CP0497273
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| Compound Name |
(S)-2-(2,4-dichloro-N-(pyridin-3-ylmethyl)benzamido)-3-phenylpropanoic acid
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| Structure |
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| Formula |
C22H18Cl2N2O3
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| Molecular Weight |
429.303
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)N(Cc1cccnc1)C(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C22H18Cl2N2O3/c23-17-8-9-18(19(24)12-17)21(27)26(14-16-7-4-10-25-13-16)20(22(28)29)11-15-5-2-1-3-6-15/h1-10,12-13,20H,11,14H2,(H,28,29)/t20-/m0/s1
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| InChIKey |
VMHMNKZZQSDIIU-FQEVSTJZSA-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