General Information of the Compound
| Compound ID |
CP0717330
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| Compound Name |
4-{2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methylpropionyl}piperazine-1-carboxamidine
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| Structure |
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| Formula |
C26H30Cl2N6O4S
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| Molecular Weight |
593.537
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=N)N)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C26H30Cl2N6O4S/c1-16-7-8-17-5-4-6-20(23(17)31-16)38-15-18-19(27)9-10-21(22(18)28)39(36,37)32-26(2,3)24(35)33-11-13-34(14-12-33)25(29)30/h4-10,32H,11-15H2,1-3H3,(H3,29,30)
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| InChIKey |
WQRQEGNSDKOBDW-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