General Information of the Compound
| Compound ID |
CP0522054
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| Compound Name |
2-hydroxy-1-[1-[2-hydroxy-3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
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| Structure |
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| Formula |
C34H41F3N6O5S
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| Molecular Weight |
702.8
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| Canonical SMILES |
OCC(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1ccccn1)-c1ccc(c(SCC(=O)N2CCOCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C34H41F3N6O5S/c35-34(36,37)27-5-4-24(17-30(27)49-22-32(47)41-13-15-48-16-14-41)33-26-20-42(31(46)21-44)12-8-29(26)43(39-33)19-25(45)18-40-10-6-23(7-11-40)28-3-1-2-9-38-28/h1-5,9,17,23,25,44-45H,6-8,10-16,18-22H2
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| InChIKey |
WAWVBVJOBWMYGT-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