General Information of the Compound
| Compound ID |
CP0198938
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| Compound Name |
(R)-2-(5'-methyl-2,2'-bithiophen-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
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| Structure |
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| Formula |
C25H26N2S2
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| Molecular Weight |
418.631
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(s1)-c1ccc(C)s1
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| InChI |
InChI=1S/C25H26N2S2/c1-17-4-3-14-27(17)15-13-19-6-8-21-20(16-19)7-9-22(26-21)23-11-12-25(29-23)24-10-5-18(2)28-24/h5-12,16-17H,3-4,13-15H2,1-2H3/t17-/m1/s1
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| InChIKey |
NCDVDCYFZPSORZ-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