General Information of the Compound
| Compound ID |
CP0720552
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| Compound Name |
N-[3-(4-carbamimidoylphenylamino)propyl]-2-[2,4-dichloro-3-(2,4-dimethylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methylpropionamide
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| Structure |
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| Formula |
C32H36Cl2N6O4S
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| Molecular Weight |
671.651
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCNc4ccc(C(=N)N)cc4)c3Cl)c2n1
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| InChI |
InChI=1S/C32H36Cl2N6O4S/c1-19-17-20(2)39-29-23(19)7-5-8-26(29)44-18-24-25(33)13-14-27(28(24)34)45(42,43)40-32(3,4)31(41)38-16-6-15-37-22-11-9-21(10-12-22)30(35)36/h5,7-14,17,37,40H,6,15-16,18H2,1-4H3,(H3,35,36)(H,38,41)
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| InChIKey |
QSKSHYAAYVBXCL-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