General Information of the Compound
| Compound ID |
CP0151323
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| Compound Name |
(R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(6-(2,2,2-trifluoroethoxy)pyridin-3-yl)thiazole
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| Structure |
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| Formula |
C26H25F3N4OS
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| Molecular Weight |
498.574
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1ccc(OCC(F)(F)F)nc1
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| InChI |
InChI=1S/C26H25F3N4OS/c1-17-3-2-11-33(17)12-10-18-4-7-21-19(13-18)5-8-22(31-21)23-15-35-25(32-23)20-6-9-24(30-14-20)34-16-26(27,28)29/h4-9,13-15,17H,2-3,10-12,16H2,1H3/t17-/m1/s1
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| InChIKey |
SZALSWFXFHISRB-QGZVFWFLSA-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