General Information of the Compound
| Compound ID |
CP0539616
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| Compound Name |
2-[5-[1-[3-[4-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
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| Structure |
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| Formula |
C34H41F4N5O5S2
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| Molecular Weight |
739.858
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1ccccc1F)-c1ccc(c(SCC(=O)N2CCOCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C34H41F4N5O5S2/c1-50(46,47)42-13-10-30-27(21-42)33(24-6-7-28(34(36,37)38)31(18-24)49-22-32(45)41-14-16-48-17-15-41)39-43(30)20-25(44)19-40-11-8-23(9-12-40)26-4-2-3-5-29(26)35/h2-7,18,23,25,44H,8-17,19-22H2,1H3
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| InChIKey |
LKZUMSQGOOWFGY-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