General Information of the Compound
| Compound ID |
CP0539615
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| Compound Name |
1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-oxo-2-(pyrrolidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)pyrrolidin-2-one
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| Structure |
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| Formula |
C32H43F3N6O4S2
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| Molecular Weight |
696.862
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCC(=O)N2CCCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C32H43F3N6O4S2/c1-47(44,45)39-19-11-27-25(21-39)31(36-41(27)16-5-12-37-17-9-24(10-18-37)40-15-4-6-29(40)42)23-7-8-26(32(33,34)35)28(20-23)46-22-30(43)38-13-2-3-14-38/h7-8,20,24H,2-6,9-19,21-22H2,1H3
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| InChIKey |
PXBISOJLYDVHAZ-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