General Information of the Compound
| Compound ID |
CP0165991
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| Compound Name |
(R)-3-bromo-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)isoxazole
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| Structure |
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| Formula |
C19H20BrN3O
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| Molecular Weight |
386.293
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc(Br)no1
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| InChI |
InChI=1S/C19H20BrN3O/c1-13-3-2-9-23(13)10-8-14-4-6-16-15(11-14)5-7-17(21-16)18-12-19(20)22-24-18/h4-7,11-13H,2-3,8-10H2,1H3/t13-/m1/s1
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| InChIKey |
RLDOROHJMZJOFY-CYBMUJFWSA-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