General Information of the Compound
| Compound ID |
CP0844041
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| Compound Name |
N-(3-aminopropyl)-4-{2-[2,4-dichloro-3-(2,4-dimethylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methylpropionyl}-piperazine-1-carboxamidine
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| Structure |
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| Formula |
C30H39Cl2N7O4S
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| Molecular Weight |
664.66
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=N)NCCCN)CC4)c3Cl)c2n1
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| InChI |
InChI=1S/C30H39Cl2N7O4S/c1-19-17-20(2)36-27-21(19)7-5-8-24(27)43-18-22-23(31)9-10-25(26(22)32)44(41,42)37-30(3,4)28(40)38-13-15-39(16-14-38)29(34)35-12-6-11-33/h5,7-10,17,37H,6,11-16,18,33H2,1-4H3,(H2,34,35)
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| InChIKey |
JVGAVVDDOBLMCV-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