General Information of the Compound
| Compound ID |
CP0510117
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| Compound Name |
N-benzyl-2-[5-[5-methylsulfonyl-1-[3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanylacetamide
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| Structure |
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| Formula |
C35H43F3N6O4S2
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| Molecular Weight |
732.895
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCC(=O)NCc2ccccc2)c1)C(F)(F)F
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| InChI |
InChI=1S/C35H43F3N6O4S2/c1-50(47,48)42-20-14-30-28(23-42)34(40-44(30)17-6-15-41-18-12-27(13-19-41)43-16-5-9-33(43)46)26-10-11-29(35(36,37)38)31(21-26)49-24-32(45)39-22-25-7-3-2-4-8-25/h2-4,7-8,10-11,21,27H,5-6,9,12-20,22-24H2,1H3,(H,39,45)
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| InChIKey |
FPPJTYKHAOKOGW-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