General Information of the Compound
| Compound ID |
CP0741508
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| Compound Name |
2,4-dichloro-N-[1,1-dimethyl-2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H28Cl2N4O4S
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| Molecular Weight |
551.496
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCNCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C25H28Cl2N4O4S/c1-16-7-8-17-5-4-6-20(23(17)29-16)35-15-18-19(26)9-10-21(22(18)27)36(33,34)30-25(2,3)24(32)31-13-11-28-12-14-31/h4-10,28,30H,11-15H2,1-3H3
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| InChIKey |
QAWTWBREVZHCMM-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