General Information of the Compound
| Compound ID |
CP0548146
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| Compound Name |
(2S)-2-(3-phenylbutanoylamino)-3-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C27H31N3O4
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| Molecular Weight |
461.562
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| Canonical SMILES |
CC(CC(=O)N[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)C(O)=O)c1ccccc1
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| InChI |
InChI=1S/C27H31N3O4/c1-20(22-8-3-2-4-9-22)18-26(31)30-24(27(32)33)19-21-11-13-23(14-12-21)34-17-7-16-29-25-10-5-6-15-28-25/h2-6,8-15,20,24H,7,16-19H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t20?,24-/m0/s1
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| InChIKey |
HZDAQXMGNYLXAY-JWIMYKKASA-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