General Information of the Compound
| Compound ID |
CP0254347
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| Compound Name |
5-(methylsulfonyl)-3-(3-(2-(piperidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-1-(3-(piperidin-1-yl)propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
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| Structure |
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| Formula |
C29H42F3N5O2S2
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| Molecular Weight |
613.816
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCCCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C29H42F3N5O2S2/c1-41(38,39)36-18-11-26-24(22-36)28(33-37(26)17-8-16-34-12-4-2-5-13-34)23-9-10-25(29(30,31)32)27(21-23)40-20-19-35-14-6-3-7-15-35/h9-10,21H,2-8,11-20,22H2,1H3
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| InChIKey |
ZYTHVNRUMLLILA-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