General Information of the Compound
| Compound ID |
CP0095635
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| Compound Name |
(+/-)-1-(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)-3-(4-(pyridin-2-yl)piperidin-1-yl)propan-2-ol
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| Structure |
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| Formula |
C34H45F3N6O3S2
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| Molecular Weight |
706.901
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1ccccn1)-c1ccc(c(SCCN2CCCCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C34H45F3N6O3S2/c1-48(45,46)42-18-12-31-28(24-42)33(26-8-9-29(34(35,36)37)32(21-26)47-20-19-40-14-5-2-6-15-40)39-43(31)23-27(44)22-41-16-10-25(11-17-41)30-7-3-4-13-38-30/h3-4,7-9,13,21,25,27,44H,2,5-6,10-12,14-20,22-24H2,1H3
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| InChIKey |
FLVUGMGNWRQWAO-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