General Information of the Compound
| Compound ID |
CP0826746
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| Compound Name |
N-(3-aminopropyl)-2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methylpropionamide
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| Structure |
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| Formula |
C24H28Cl2N4O4S
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| Molecular Weight |
539.485
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCN)c3Cl)c2n1
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| InChI |
InChI=1S/C24H28Cl2N4O4S/c1-15-8-9-16-6-4-7-19(22(16)29-15)34-14-17-18(25)10-11-20(21(17)26)35(32,33)30-24(2,3)23(31)28-13-5-12-27/h4,6-11,30H,5,12-14,27H2,1-3H3,(H,28,31)
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| InChIKey |
OFTYUWNPPSXCOW-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