General Information of the Compound
| Compound ID |
CP0380597
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| Compound Name |
2-ethyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalene-2-sulfonyl)-2,3-dihydro-1H-quinolin-4-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 |
CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
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| InChI |
InChI=1S/C26H29N3O3S/c1-3-21-18-25(30)26-23(28-15-13-27(2)14-16-28)9-6-10-24(26)29(21)33(31,32)22-12-11-19-7-4-5-8-20(19)17-22/h4-12,17,21H,3,13-16,18H2,1-2H3
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| InChIKey |
PXEURUZEVKVPGJ-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