General Information of the Compound
| Compound ID |
CP0563276
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| Compound Name |
3-[[4-[3-methyl-1-[5-[2-methyl-4-(trifluoromethyl)phenyl]indol-1-yl]butyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C31H31F3N2O3
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| Molecular Weight |
536.594
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| Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ccc2cc(ccc12)-c1ccc(cc1C)C(F)(F)F
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| InChI |
InChI=1S/C31H31F3N2O3/c1-19(2)16-28(21-4-6-22(7-5-21)30(39)35-14-12-29(37)38)36-15-13-24-18-23(8-11-27(24)36)26-10-9-25(17-20(26)3)31(32,33)34/h4-11,13,15,17-19,28H,12,14,16H2,1-3H3,(H,35,39)(H,37,38)
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| InChIKey |
DUHIQIKQJPPKAX-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