General Information of the Compound
| Compound ID |
CP0782060
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| Compound Name |
N-(3-aminopropyl)-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 |
C29H37Cl2N7O4S
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| Molecular Weight |
650.633
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| Canonical SMILES |
Cc1ccc2cccc(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/C29H37Cl2N7O4S/c1-19-8-9-20-6-4-7-23(26(20)35-19)42-18-21-22(30)10-11-24(25(21)31)43(40,41)36-29(2,3)27(39)37-14-16-38(17-15-37)28(33)34-13-5-12-32/h4,6-11,36H,5,12-18,32H2,1-3H3,(H2,33,34)
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| InChIKey |
VAKTVFGHQHJZDC-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