General Information of the Compound
| Compound ID |
CP0714602
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| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-propionamide
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| Structure |
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| Formula |
C29H37Cl2N5O4S
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| Molecular Weight |
622.619
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCN4CCN(C)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C29H37Cl2N5O4S/c1-20-9-10-21-7-5-8-24(27(21)33-20)40-19-22-23(30)11-12-25(26(22)31)41(38,39)34-29(2,3)28(37)32-13-6-14-36-17-15-35(4)16-18-36/h5,7-12,34H,6,13-19H2,1-4H3,(H,32,37)
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| InChIKey |
MSZISYOKSODETJ-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