General Information of the Compound
| Compound ID |
CP0455819
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| Compound Name |
1-(1-(2-chloro-6- (trifluoromethyl)benzoyl)-1H- pyrazolo[4,3- b]pyridin-3- yl)piperidine-4- carboxylic acid
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| Structure |
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| Formula |
C20H16ClF3N4O3
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| Molecular Weight |
452.82
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| Canonical SMILES |
OC(=O)C1CCN(CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12
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| InChI |
InChI=1S/C20H16ClF3N4O3/c21-13-4-1-3-12(20(22,23)24)15(13)18(29)28-14-5-2-8-25-16(14)17(26-28)27-9-6-11(7-10-27)19(30)31/h1-5,8,11H,6-7,9-10H2,(H,30,31)
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| InChIKey |
CDTBRAGUFMYFOW-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