General Information of the Compound
| Compound ID |
CP0493812
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| Compound Name |
4-(2-chloro-4-(trifluoromethyl)phenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C25H22ClF3N4O
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| Molecular Weight |
486.925
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| Canonical SMILES |
FC(F)(F)c1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
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| InChI |
InChI=1S/C25H22ClF3N4O/c26-22-15-19(25(27,28)29)3-5-21(22)17-7-10-32(24(34)14-17)20-4-6-23-18(13-20)16-30-33(23)12-11-31-8-1-2-9-31/h3-7,10,13-16H,1-2,8-9,11-12H2
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| InChIKey |
VZZOFPBEHXCBGP-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