General Information of the Compound
| Compound ID |
CP0542258
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| Compound Name |
3-[[4-[3-methyl-1-[5-[4-(trifluoromethyl)phenyl]indol-1-yl]butyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C30H29F3N2O3
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| Molecular Weight |
522.567
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| Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ccc2cc(ccc12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H29F3N2O3/c1-19(2)17-27(21-3-5-22(6-4-21)29(38)34-15-13-28(36)37)35-16-14-24-18-23(9-12-26(24)35)20-7-10-25(11-8-20)30(31,32)33/h3-12,14,16,18-19,27H,13,15,17H2,1-2H3,(H,34,38)(H,36,37)
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| InChIKey |
SLXXPMFTKQTDLJ-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