General Information of the Compound
| Compound ID |
CP0340860
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| Compound Name |
N-ethyl-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-carboxamide
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| Structure |
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| Formula |
C33H37F4N5O3S2
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| Molecular Weight |
691.817
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| Canonical SMILES |
CCNC(=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/C33H37F4N5O3S2/c1-3-38-32(43)31-29(25-10-9-24(34)19-28(25)46-31)21-11-16-40(17-12-21)14-4-15-42-27-13-18-41(47(2,44)45)20-26(27)30(39-42)22-5-7-23(8-6-22)33(35,36)37/h5-10,19,21H,3-4,11-18,20H2,1-2H3,(H,38,43)
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| InChIKey |
BWVAZLGDVQMTSE-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