General Information of the Compound
| Compound ID |
CP0380598
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| Compound Name |
2,7-dimethyl-5-(4-methylpiperazin-1-yl)-1-(naphthalen-2-ylsulfonyl)-2,3-dihydroquinolin-4(1H)-one
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| Structure |
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| Formula |
C26H29N3O3S
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| Molecular Weight |
463.603
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| Canonical SMILES |
CC1CC(=O)c2c(cc(C)cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
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| InChI |
InChI=1S/C26H29N3O3S/c1-18-14-23(28-12-10-27(3)11-13-28)26-24(15-18)29(19(2)16-25(26)30)33(31,32)22-9-8-20-6-4-5-7-21(20)17-22/h4-9,14-15,17,19H,10-13,16H2,1-3H3
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| InChIKey |
NFWRARMIHODAKJ-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