General Information of the Compound
| Compound ID |
CP0233536
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| Compound Name |
(+/-)-1-(5-(methylsulfonyl)-3-(3-(2-(pyrrolidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)-3-(piperidin-1-yl)propan-2-ol
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| Structure |
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| Formula |
C28H40F3N5O3S2
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| Molecular Weight |
615.788
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCCC1)-c1ccc(c(SCCN2CCCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C28H40F3N5O3S2/c1-41(38,39)35-14-9-25-23(20-35)27(32-36(25)19-22(37)18-34-12-3-2-4-13-34)21-7-8-24(28(29,30)31)26(17-21)40-16-15-33-10-5-6-11-33/h7-8,17,22,37H,2-6,9-16,18-20H2,1H3
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| InChIKey |
QFSJCWDDWWGNBW-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