General Information of the Compound
| Compound ID |
CP0768915
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| Compound Name |
2-(5-methyl-4-(4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C18H18F3N5O2S
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| Molecular Weight |
425.436
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(CC(F)(F)F)CC2)cnn1-c1nc2sccc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H18F3N5O2S/c1-10-13(16(28)25-5-2-11(3-6-25)8-18(19,20)21)9-22-26(10)17-23-14(27)12-4-7-29-15(12)24-17/h4,7,9,11H,2-3,5-6,8H2,1H3,(H,23,24,27)
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| InChIKey |
JFJWWAJBGKFRNF-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