General Information of the Compound
| Compound ID |
CP0316229
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| Compound Name |
5-(methylsulfonyl)-3-(3-(2-(piperidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-1-(3-(4-(pyrrolidin-1-yl)piperidin-1-yl)propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
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| Structure |
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| Formula |
C33H49F3N6O2S2
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| Molecular Weight |
682.923
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C33H49F3N6O2S2/c1-46(43,44)41-21-12-30-28(25-41)32(37-42(30)18-7-15-39-19-10-27(11-20-39)40-16-5-6-17-40)26-8-9-29(33(34,35)36)31(24-26)45-23-22-38-13-3-2-4-14-38/h8-9,24,27H,2-7,10-23,25H2,1H3
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| InChIKey |
MHVNYNUTMUHLOQ-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