General Information of the Compound
| Compound ID |
CP0943586
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| Compound Name |
N-2-[4-(6-aminohexyl)piperazin-1-yl]-1,1-dimethyl-2-oxoethyl-2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonamide
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| Structure |
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| Formula |
C31H41Cl2N5O4S
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| Molecular Weight |
650.673
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(CCCCCCN)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C31H41Cl2N5O4S/c1-22-11-12-23-9-8-10-26(29(23)35-22)42-21-24-25(32)13-14-27(28(24)33)43(40,41)36-31(2,3)30(39)38-19-17-37(18-20-38)16-7-5-4-6-15-34/h8-14,36H,4-7,15-21,34H2,1-3H3
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| InChIKey |
VUMJJMZJSPFDOG-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