General Information of the Compound
| Compound ID |
CP0488008
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| Compound Name |
3-[[4-[1-[6-chloro-5-[2-methyl-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C30H29ClF3N3O3
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| Molecular Weight |
572.027
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| Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1cc2cc(c(Cl)cc2n1)-c1ccc(cc1C)C(F)(F)F
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| InChI |
InChI=1S/C30H29ClF3N3O3/c1-17(2)12-27(19-4-6-20(7-5-19)29(40)35-11-10-28(38)39)37-16-21-14-24(25(31)15-26(21)36-37)23-9-8-22(13-18(23)3)30(32,33)34/h4-9,13-17,27H,10-12H2,1-3H3,(H,35,40)(H,38,39)
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| InChIKey |
GJTJRKCVVBOIHM-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