General Information of the Compound
| Compound ID |
CP0534732
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| Compound Name |
3-[[4-[1-[6-(4-methoxyphenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]indol-1-yl]butyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C37H35F3N2O5
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| Molecular Weight |
644.69
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| Canonical SMILES |
CCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1cc(-c2cc(ccc2OC)C(F)(F)F)c2ccc(cc12)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C37H35F3N2O5/c1-4-5-32(24-6-8-25(9-7-24)36(45)41-19-18-35(43)44)42-22-31(30-21-27(37(38,39)40)13-17-34(30)47-3)29-16-12-26(20-33(29)42)23-10-14-28(46-2)15-11-23/h6-17,20-22,32H,4-5,18-19H2,1-3H3,(H,41,45)(H,43,44)
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| InChIKey |
BZGPVCYWDARBEG-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