General Information of the Compound
| Compound ID |
CP0416872
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| Compound Name |
3-[[4-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]indazol-2-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C29H27ClF3N3O3
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| Molecular Weight |
558
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| Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1cc2cc(ccc2n1)-c1ccc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C29H27ClF3N3O3/c1-17(2)13-26(18-3-5-19(6-4-18)28(39)34-12-11-27(37)38)36-16-21-14-20(7-10-25(21)35-36)23-9-8-22(15-24(23)30)29(31,32)33/h3-10,14-17,26H,11-13H2,1-2H3,(H,34,39)(H,37,38)
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| InChIKey |
QKRUXBGTJMESQM-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