General Information of the Compound
| Compound ID |
CP0509363
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| Compound Name |
2-(5-(1-(2-hydroxy-3-(4-(pyridin-2-yl)piperidin-1-yl)propyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluoromethyl)phenylthio)-1-(piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C34H43F3N6O4S2
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| Molecular Weight |
720.884
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1ccccn1)-c1ccc(c(SCC(=O)N2CCCCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C34H43F3N6O4S2/c1-49(46,47)42-18-12-30-27(22-42)33(39-43(30)21-26(44)20-40-16-10-24(11-17-40)29-7-3-4-13-38-29)25-8-9-28(34(35,36)37)31(19-25)48-23-32(45)41-14-5-2-6-15-41/h3-4,7-9,13,19,24,26,44H,2,5-6,10-12,14-18,20-23H2,1H3
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| InChIKey |
ODBZHMYVWOXQFV-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