General Information of the Compound
| Compound ID |
CP0548753
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| Compound Name |
3-[[4-[(1R)-1-[5-[2-chloro-4-(trifluoromethyl)phenyl]-4-methoxyindazol-2-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C30H29ClF3N3O4
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| Molecular Weight |
588.026
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| Canonical SMILES |
COc1c(ccc2nn(cc12)[C@H](CC(C)C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1ccc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C30H29ClF3N3O4/c1-17(2)14-26(18-4-6-19(7-5-18)29(40)35-13-12-27(38)39)37-16-23-25(36-37)11-10-22(28(23)41-3)21-9-8-20(15-24(21)31)30(32,33)34/h4-11,15-17,26H,12-14H2,1-3H3,(H,35,40)(H,38,39)/t26-/m1/s1
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| InChIKey |
CKMPOAFHGMTZND-AREMUKBSSA-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