General Information of the Compound
| Compound ID |
CP0576705
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| Compound Name |
N-[2-[1-(2-cyanoacetyl)azetidin-3-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
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| Formula |
C23H21F3N6O3
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| Molecular Weight |
486.454
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| Canonical SMILES |
CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)C1CN(C1)C(=O)CC#N
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| InChI |
InChI=1S/C23H21F3N6O3/c1-22(2,35)15-9-17-13(10-32(30-17)14-11-31(12-14)20(33)6-7-27)8-18(15)29-21(34)16-4-3-5-19(28-16)23(24,25)26/h3-5,8-10,14,35H,6,11-12H2,1-2H3,(H,29,34)
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| InChIKey |
HAIBYQJFNKYMOC-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