General Information of the Compound
| Compound ID |
CP0726238
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| Compound Name |
7-methyl-2-(5-methyl-4-(4-(trifluoromethyl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
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| Structure |
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| Formula |
C18H19F3N6O2
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| Molecular Weight |
408.384
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1-c1nc2c(ccn2C)c(=O)[nH]1
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| InChI |
InChI=1S/C18H19F3N6O2/c1-10-13(16(29)26-7-3-11(4-8-26)18(19,20)21)9-22-27(10)17-23-14-12(15(28)24-17)5-6-25(14)2/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,23,24,28)
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| InChIKey |
REKVYBFIGQNYSD-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