General Information of the Compound
| Compound ID |
CP0881233
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| Compound Name |
2,4-dichloro-N-{2-[4-(2-guanidinoethyl)piperazin-1-yl]-1,1-dimethyl-2-oxoethyl}-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonamide
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| Structure |
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| Formula |
C28H35Cl2N7O4S
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| Molecular Weight |
636.606
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(CCN=C(N)N)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C28H35Cl2N7O4S/c1-18-7-8-19-5-4-6-22(25(19)34-18)41-17-20-21(29)9-10-23(24(20)30)42(39,40)35-28(2,3)26(38)37-15-13-36(14-16-37)12-11-33-27(31)32/h4-10,35H,11-17H2,1-3H3,(H4,31,32,33)
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| InChIKey |
MJEAYKOHKNVCFD-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