General Information of the Compound
| Compound ID |
CP0037251
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| Compound Name |
(-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]cyclohexyl}amino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
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| Structure |
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| Formula |
C21H24F3N7O3
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| Molecular Weight |
479.463
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| Canonical SMILES |
CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O
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| InChI |
InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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| InChIKey |
UJQKNBFBUSXTSO-CMPLNLGQSA-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