General Information of the Compound
| Compound ID |
CP0364318
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| Compound Name |
(+/-)-1-(4-cyclopentylpiperidin-1-yl)-3-(5-(methylsulfonyl)-3-(3-(2-(piperidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propan-2-ol
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| Structure |
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| Formula |
C34H50F3N5O3S2
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| Molecular Weight |
697.934
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)C1CCCC1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C34H50F3N5O3S2/c1-47(44,45)41-18-13-31-29(24-41)33(38-42(31)23-28(43)22-40-16-11-26(12-17-40)25-7-3-4-8-25)27-9-10-30(34(35,36)37)32(21-27)46-20-19-39-14-5-2-6-15-39/h9-10,21,25-26,28,43H,2-8,11-20,22-24H2,1H3
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| InChIKey |
IGEZFTQSSYIAMT-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