General Information of the Compound
| Compound ID |
CP0728064
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| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-N-(3-guanidinopropyl)-2-methylpropionamide
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| Structure |
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| Formula |
C25H30Cl2N6O4S
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| Molecular Weight |
581.526
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCN=C(N)N)c3Cl)c2n1
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| InChI |
InChI=1S/C25H30Cl2N6O4S/c1-15-8-9-16-6-4-7-19(22(16)32-15)37-14-17-18(26)10-11-20(21(17)27)38(35,36)33-25(2,3)23(34)30-12-5-13-31-24(28)29/h4,6-11,33H,5,12-14H2,1-3H3,(H,30,34)(H4,28,29,31)
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| InChIKey |
GBZMLFUXZSCUPR-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