General Information of the Compound
| Compound ID |
CP0574740
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| Compound Name |
3-[[5-[3-methyl-1-[6-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]indazol-1-yl]butyl]pyridine-2-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C30H31F3N4O3
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| Molecular Weight |
552.597
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| Canonical SMILES |
CC(C)CC(c1ccc(nc1)C(=O)NCCC(O)=O)n1ncc2cc(c(C)cc12)-c1ccc(cc1C)C(F)(F)F
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| InChI |
InChI=1S/C30H31F3N4O3/c1-17(2)11-26(20-5-8-25(35-15-20)29(40)34-10-9-28(38)39)37-27-13-19(4)24(14-21(27)16-36-37)23-7-6-22(12-18(23)3)30(31,32)33/h5-8,12-17,26H,9-11H2,1-4H3,(H,34,40)(H,38,39)
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| InChIKey |
TYSGKNAGKOIASS-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