General Information of the Compound
| Compound ID |
CP0768933
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| Compound Name |
2-[4-[4-(trifluoromethyL)piperidine-1-carbonyl]-1H-pyrazol-1-yl]-3H,4H,5H,7H-furo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C16H16F3N5O3
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| Molecular Weight |
383.33
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| Canonical SMILES |
O=C(c1cnn(-c2nc3c(c(=O)[nH]2)COC3)c1)N1CCC(C(F)(F)F)CC1
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| InChI |
InChI=1S/C16H16F3N5O3/c17-16(18,19)10-1-3-23(4-2-10)14(26)9-5-20-24(6-9)15-21-12-8-27-7-11(12)13(25)22-15/h5-6,10H,1-4,7-8H2,(H,21,22,25)
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| InChIKey |
PLYUETBFNWZWCO-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