General Information of the Compound
| Compound ID |
CP0734274
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| Compound Name |
2-(4-(4-(trifluoromethyl)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 |
C16H14F3N5O2S
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| Molecular Weight |
397.382
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| Canonical SMILES |
O=C(c1cnn(-c2nc3sccc3c(=O)[nH]2)c1)N1CCC(C(F)(F)F)CC1
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| InChI |
InChI=1S/C16H14F3N5O2S/c17-16(18,19)10-1-4-23(5-2-10)14(26)9-7-20-24(8-9)15-21-12(25)11-3-6-27-13(11)22-15/h3,6-8,10H,1-2,4-5H2,(H,21,22,25)
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| InChIKey |
ALEKWKBXDQOCBN-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