General Information of the Compound
| Compound ID |
CP0577956
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| Compound Name |
N-[6-(2-hydroxypropan-2-yl)-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C22H22F3N5O3
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| Molecular Weight |
461.444
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| Canonical SMILES |
CC(C)(O)c1cc2nn(C[C@@H]3CCC(=O)N3)cc2cc1NC(=O)c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F3N5O3/c1-21(2,33)14-9-16-12(10-30(29-16)11-13-6-7-19(31)26-13)8-17(14)28-20(32)15-4-3-5-18(27-15)22(23,24)25/h3-5,8-10,13,33H,6-7,11H2,1-2H3,(H,26,31)(H,28,32)/t13-/m0/s1
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| InChIKey |
OKJUYEXVKSVYDQ-ZDUSSCGKSA-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