General Information of the Compound
| Compound ID |
CP0235590
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| Compound Name |
(R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-phenylthiazole
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| Structure |
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| Formula |
C25H25N3S
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| Molecular Weight |
399.563
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1ccccc1
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| InChI |
InChI=1S/C25H25N3S/c1-18-6-5-14-28(18)15-13-19-9-11-22-21(16-19)10-12-23(26-22)24-17-29-25(27-24)20-7-3-2-4-8-20/h2-4,7-12,16-18H,5-6,13-15H2,1H3/t18-/m1/s1
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| InChIKey |
QKGFAFCTWJXMJH-GOSISDBHSA-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