General Information of the Compound
| Compound ID |
CP0522525
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| Compound Name |
(S)-2-(2,4-dichloro-N-(3-methylbenzyl)benzamido)-3-phenylpropanoic acid
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| Structure |
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| Formula |
C24H21Cl2NO3
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| Molecular Weight |
442.342
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| Canonical SMILES |
Cc1cccc(CN([C@@H](Cc2ccccc2)C(O)=O)C(=O)c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C24H21Cl2NO3/c1-16-6-5-9-18(12-16)15-27(23(28)20-11-10-19(25)14-21(20)26)22(24(29)30)13-17-7-3-2-4-8-17/h2-12,14,22H,13,15H2,1H3,(H,29,30)/t22-/m0/s1
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| InChIKey |
JLXCKDPHJYBMIV-QFIPXVFZSA-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