General Information of the Compound
| Compound ID |
CP0506704
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| Compound Name |
US9045389, 13
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| Synonyms |
Biphenyl carboxamidopropanoic acid derivative 3
PMID25828189-Compound-8
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| Structure |
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| Formula |
C30H26Cl2N2O3
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| Molecular Weight |
533.455
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| Canonical SMILES |
CC(Nc1ccc(cc1)-c1ccc(Cl)cc1)c1ccc(Cl)cc1-c1ccc(cc1)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C30H26Cl2N2O3/c1-19(34-26-13-8-21(9-14-26)20-6-10-24(31)11-7-20)27-15-12-25(32)18-28(27)22-2-4-23(5-3-22)30(37)33-17-16-29(35)36/h2-15,18-19,34H,16-17H2,1H3,(H,33,37)(H,35,36)
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| InChIKey |
VTPFIFMNWSMPMA-UHFFFAOYSA-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
Clinical Information about the Compound