General Information of the Compound
| Compound ID |
CP0547301
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| Compound Name |
(2S)-3-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]-2-(3,3,3-triphenylpropanoylamino)propanoic acid
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| Structure |
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| Formula |
C38H37N3O4
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| Molecular Weight |
599.731
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C38H37N3O4/c42-36(28-38(30-13-4-1-5-14-30,31-15-6-2-7-16-31)32-17-8-3-9-18-32)41-34(37(43)44)27-29-20-22-33(23-21-29)45-26-12-25-40-35-19-10-11-24-39-35/h1-11,13-24,34H,12,25-28H2,(H,39,40)(H,41,42)(H,43,44)/t34-/m0/s1
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| InChIKey |
VLPPPMQAGUVSRL-UMSFTDKQSA-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