General Information of the Compound
| Compound ID |
CP0539020
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| Compound Name |
(2S)-2-(3,3-diphenylpropanoylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C28H31NO4
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| Molecular Weight |
445.559
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| Canonical SMILES |
CC(C)(C)Oc1ccc(C[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)C(O)=O)cc1
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| InChI |
InChI=1S/C28H31NO4/c1-28(2,3)33-23-16-14-20(15-17-23)18-25(27(31)32)29-26(30)19-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,24-25H,18-19H2,1-3H3,(H,29,30)(H,31,32)/t25-/m0/s1
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| InChIKey |
CGEBZHJGMWQTHE-VWLOTQADSA-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