General Information of the Compound
| Compound ID |
CP0741205
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| Compound Name |
N-(2-aminoethyl)-2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methylpropionamide
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| Structure |
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| Formula |
C23H26Cl2N4O4S
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| Molecular Weight |
525.458
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCN)c3Cl)c2n1
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| InChI |
InChI=1S/C23H26Cl2N4O4S/c1-14-7-8-15-5-4-6-18(21(15)28-14)33-13-16-17(24)9-10-19(20(16)25)34(31,32)29-23(2,3)22(30)27-12-11-26/h4-10,29H,11-13,26H2,1-3H3,(H,27,30)
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| InChIKey |
ZMNGVBVTZDZVLY-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