General Information of the Compound
| Compound ID |
CP0293053
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| Compound Name |
methyl 6-fluoro-3-[1-[3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1-benzothiophene-2-carboxylate
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| Structure |
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| Formula |
C32H34F4N4O4S2
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| Molecular Weight |
678.774
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| Canonical SMILES |
COC(=O)c1sc2cc(F)ccc2c1C1CCN(CCCn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C32H34F4N4O4S2/c1-44-31(41)30-28(24-9-8-23(33)18-27(24)45-30)20-10-15-38(16-11-20)13-3-14-40-26-12-17-39(46(2,42)43)19-25(26)29(37-40)21-4-6-22(7-5-21)32(34,35)36/h4-9,18,20H,3,10-17,19H2,1-2H3
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| InChIKey |
PKVMVSXITBYXTM-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