General Information of the Compound
| Compound ID |
CP0794024
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| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methyl-N-(3-phenylpropyl)propionamide
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| Structure |
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| Formula |
C30H31Cl2N3O4S
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| Molecular Weight |
600.568
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCc4ccccc4)c3Cl)c2n1
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| InChI |
InChI=1S/C30H31Cl2N3O4S/c1-20-14-15-22-12-7-13-25(28(22)34-20)39-19-23-24(31)16-17-26(27(23)32)40(37,38)35-30(2,3)29(36)33-18-8-11-21-9-5-4-6-10-21/h4-7,9-10,12-17,35H,8,11,18-19H2,1-3H3,(H,33,36)
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| InChIKey |
ZZZUWWBLBKQWCC-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