General Information of the Compound
| Compound ID |
CP0477439
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| Compound Name |
3-[[5-[1-[5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethoxyindazol-2-yl]-3-methylbutyl]pyridine-2-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C30H30ClF3N4O4
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| Molecular Weight |
603.041
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| Canonical SMILES |
CCOc1c(ccc2nn(cc12)C(CC(C)C)c1ccc(nc1)C(=O)NCCC(O)=O)-c1ccc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C30H30ClF3N4O4/c1-4-42-28-21(20-7-6-19(14-23(20)31)30(32,33)34)8-10-24-22(28)16-38(37-24)26(13-17(2)3)18-5-9-25(36-15-18)29(41)35-12-11-27(39)40/h5-10,14-17,26H,4,11-13H2,1-3H3,(H,35,41)(H,39,40)
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| InChIKey |
STLKNKOMXGDFNO-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