General Information of the Compound
| Compound ID |
CP0408043
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| Compound Name |
(R)-2-methyl-7-(4-methylpiperazin-1-yl)-1-(naphthalen-2-ylsulfonyl)-2,3-dihydroquinolin-4(1H)-one
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| Structure |
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| Formula |
C25H27N3O3S
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| Molecular Weight |
449.576
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| Canonical SMILES |
C[C@@H]1CC(=O)c2ccc(cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
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| InChI |
InChI=1S/C25H27N3O3S/c1-18-15-25(29)23-10-8-21(27-13-11-26(2)12-14-27)17-24(23)28(18)32(30,31)22-9-7-19-5-3-4-6-20(19)16-22/h3-10,16-18H,11-15H2,1-2H3/t18-/m1/s1
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| InChIKey |
MLWMWKMYRSHCPJ-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