General Information of the Compound
| Compound ID |
CP0514297
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| Compound Name |
2-[5-[1-[2-hydroxy-3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
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| Structure |
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| Formula |
C32H39F3N6O3S
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| Molecular Weight |
644.764
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| Canonical SMILES |
OC(CN1CCC(CC1)c1ccccn1)Cn1nc(c2CNCCc12)-c1ccc(c(SCC(=O)N2CCOCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C32H39F3N6O3S/c33-32(34,35)26-5-4-23(17-29(26)45-21-30(43)40-13-15-44-16-14-40)31-25-18-36-10-6-28(25)41(38-31)20-24(42)19-39-11-7-22(8-12-39)27-3-1-2-9-37-27/h1-5,9,17,22,24,36,42H,6-8,10-16,18-21H2
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| InChIKey |
SFTHNDMBWMEDRI-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