General Information of the Compound
| Compound ID |
CP0164860
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| Compound Name |
3-[[4-[(1S)-3-methyl-1-[6-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]indazol-1-yl]butyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C31H32F3N3O3
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| Molecular Weight |
551.609
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| Canonical SMILES |
CC(C)C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(c(C)cc12)-c1ccc(cc1C)C(F)(F)F
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| InChI |
InChI=1S/C31H32F3N3O3/c1-18(2)13-27(21-5-7-22(8-6-21)30(40)35-12-11-29(38)39)37-28-15-20(4)26(16-23(28)17-36-37)25-10-9-24(14-19(25)3)31(32,33)34/h5-10,14-18,27H,11-13H2,1-4H3,(H,35,40)(H,38,39)/t27-/m0/s1
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| InChIKey |
GLNZNFHAEQNMBZ-MHZLTWQESA-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