General Information of the Compound
| Compound ID |
CP0260746
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| Compound Name |
(+/-)-(1-(2-hydroxy-3-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)(pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C34H49F3N6O4S2
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| Molecular Weight |
726.932
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)C(=O)N1CCCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C34H49F3N6O4S2/c1-49(46,47)42-18-11-30-28(24-42)32(26-7-8-29(34(35,36)37)31(21-26)48-20-19-39-12-3-2-4-13-39)38-43(30)23-27(44)22-40-16-9-25(10-17-40)33(45)41-14-5-6-15-41/h7-8,21,25,27,44H,2-6,9-20,22-24H2,1H3
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| InChIKey |
XDEJCUHUPQEPPL-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