General Information of the Compound
| Compound ID |
CP0734160
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| Compound Name |
2,4-dichloro-N-(2-guanidino-1,1-dimethyl-2-oxoethyl)-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonamide
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| Structure |
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| Formula |
C22H23Cl2N5O4S
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| Molecular Weight |
524.43
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N=C(N)N)c3Cl)c2n1
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| InChI |
InChI=1S/C22H23Cl2N5O4S/c1-12-7-8-13-5-4-6-16(19(13)27-12)33-11-14-15(23)9-10-17(18(14)24)34(31,32)29-22(2,3)20(30)28-21(25)26/h4-10,29H,11H2,1-3H3,(H4,25,26,28,30)
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| InChIKey |
SQPXCEOIBZIUPU-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