General Information of the Compound
| Compound ID |
CP0765492
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| Compound Name |
N-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C20H18F3N5OS
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| Molecular Weight |
433.459
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| Canonical SMILES |
O=C(Nc1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1)c1cccs1
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| InChI |
InChI=1S/C20H18F3N5OS/c21-20(22,23)15-3-1-7-24-18(15)28-10-8-27(9-11-28)17-6-5-14(13-25-17)26-19(29)16-4-2-12-30-16/h1-7,12-13H,8-11H2,(H,26,29)
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| InChIKey |
XPOPNPKBWKKOTM-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3