General Information of the Compound
| Compound ID |
CP0713505
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| Compound Name |
2-(3-methyl-4-(4-(trifluoromethyl)piperidine-1-carbonyl)pyridin-2-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C19H17F3N4O2S
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| Molecular Weight |
422.432
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)ccnc1-c1nc2ccsc2c(=O)[nH]1
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| InChI |
InChI=1S/C19H17F3N4O2S/c1-10-12(18(28)26-7-3-11(4-8-26)19(20,21)22)2-6-23-14(10)16-24-13-5-9-29-15(13)17(27)25-16/h2,5-6,9,11H,3-4,7-8H2,1H3,(H,24,25,27)
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| InChIKey |
AESYQTVRBHFCEN-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