General Information of the Compound
| Compound ID |
CP0655987
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| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methyl-N-(3-morpholin-4-yl-propyl)propionamide
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| Structure |
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| Formula |
C28H34Cl2N4O5S
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| Molecular Weight |
609.576
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCN4CCOCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C28H34Cl2N4O5S/c1-19-8-9-20-6-4-7-23(26(20)32-19)39-18-21-22(29)10-11-24(25(21)30)40(36,37)33-28(2,3)27(35)31-12-5-13-34-14-16-38-17-15-34/h4,6-11,33H,5,12-18H2,1-3H3,(H,31,35)
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| InChIKey |
JDDAOYDQCGHILG-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