General Information of the Compound
| Compound ID |
CP0379950
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| Compound Name |
2-methyl-1-(naphthalen-2-ylsulfonyl)-5-(piperazin-1-yl)-2,3-dihydroquinolin-4(1H)-one
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| Structure |
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| Formula |
C24H25N3O3S
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| Molecular Weight |
435.549
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| Canonical SMILES |
CC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCNCC1
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| InChI |
InChI=1S/C24H25N3O3S/c1-17-15-23(28)24-21(26-13-11-25-12-14-26)7-4-8-22(24)27(17)31(29,30)20-10-9-18-5-2-3-6-19(18)16-20/h2-10,16-17,25H,11-15H2,1H3
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| InChIKey |
GRRMTRMNWWFPBH-UHFFFAOYSA-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