General Information of the Compound
| Compound ID |
CP0448733
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| Compound Name |
(2S)-2-(3,3-diphenylpropanoylamino)-3-(4-phenylmethoxyphenyl)propanoic acid
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| Structure |
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| Formula |
C31H29NO4
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| Molecular Weight |
479.576
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H29NO4/c33-30(21-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26)32-29(31(34)35)20-23-16-18-27(19-17-23)36-22-24-10-4-1-5-11-24/h1-19,28-29H,20-22H2,(H,32,33)(H,34,35)/t29-/m0/s1
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| InChIKey |
GTHARARCIGECKR-LJAQVGFWSA-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: PT01771, E3 ubiquitin-protein ligase Mdm2
Protein ID: PT02099, Protein Mdm4