General Information of the Compound
| Compound ID |
CP0881036
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| Compound Name |
N-(6-aminohexyl)-4-{2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methylpropionyl}-piperazine-1-carboxamidine
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| Structure |
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| Formula |
C32H43Cl2N7O4S
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| Molecular Weight |
692.714
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=N)NCCCCCCN)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C32H43Cl2N7O4S/c1-22-11-12-23-9-8-10-26(29(23)38-22)45-21-24-25(33)13-14-27(28(24)34)46(43,44)39-32(2,3)30(42)40-17-19-41(20-18-40)31(36)37-16-7-5-4-6-15-35/h8-14,39H,4-7,15-21,35H2,1-3H3,(H2,36,37)
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| InChIKey |
UMGLRMIUCPVNGK-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