General Information of the Compound
| Compound ID |
CP0495885
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| Compound Name |
1-(1-(3-(3-(3-(2-(4-(hydroxymethyl)piperidin-1-yl)-2-oxoethylthio)-4-(trifluoromethyl)phenyl)-5-(methylsulfonyl)-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 |
C34H47F3N6O5S2
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| Molecular Weight |
740.915
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCC(=O)N2CCC(CO)CC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C34H47F3N6O5S2/c1-50(47,48)41-19-11-29-27(21-41)33(38-43(29)14-3-12-39-15-9-26(10-16-39)42-13-2-4-31(42)45)25-5-6-28(34(35,36)37)30(20-25)49-23-32(46)40-17-7-24(22-44)8-18-40/h5-6,20,24,26,44H,2-4,7-19,21-23H2,1H3
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| InChIKey |
ZSFYNLVTOZUTCL-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