General Information of the Compound
| Compound ID |
CP0508045
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| Compound Name |
2-[5-[1-[2-hydroxy-3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-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 |
C33H41F3N6O5S2
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| Molecular Weight |
722.856
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| Canonical SMILES |
CS(=O)(=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/C33H41F3N6O5S2/c1-49(45,46)41-13-9-29-26(21-41)32(38-42(29)20-25(43)19-39-11-7-23(8-12-39)28-4-2-3-10-37-28)24-5-6-27(33(34,35)36)30(18-24)48-22-31(44)40-14-16-47-17-15-40/h2-6,10,18,23,25,43H,7-9,11-17,19-22H2,1H3
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| InChIKey |
GMALOPFMKHYUIT-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