General Information of the Compound
| Compound ID |
CP0438308
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| Compound Name |
3-[[4-[(1S)-1-[4-methoxy-5-[2-methyl-4-(trifluoromethyl)phenyl]indazol-1-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C31H32F3N3O4
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| Molecular Weight |
567.608
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| Canonical SMILES |
COc1c(ccc2n(ncc12)[C@@H](CC(C)C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1ccc(cc1C)C(F)(F)F
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| InChI |
InChI=1S/C31H32F3N3O4/c1-18(2)15-27(20-5-7-21(8-6-20)30(40)35-14-13-28(38)39)37-26-12-11-24(29(41-4)25(26)17-36-37)23-10-9-22(16-19(23)3)31(32,33)34/h5-12,16-18,27H,13-15H2,1-4H3,(H,35,40)(H,38,39)/t27-/m0/s1
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| InChIKey |
LYBQCLRZFRIWHZ-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