General Information of the Compound
| Compound ID |
CP0485467
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| Compound Name |
N-[3-[(7-chloroquinolin-4-yl)amino]-5-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-2-piperidin-1-ylacetamide
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| Structure |
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| Formula |
C28H37ClN6O
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| Molecular Weight |
509.098
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| Canonical SMILES |
CN(C)CCN(C)Cc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
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| InChI |
InChI=1S/C28H37ClN6O/c1-33(2)13-14-34(3)19-21-15-23(31-26-9-10-30-27-17-22(29)7-8-25(26)27)18-24(16-21)32-28(36)20-35-11-5-4-6-12-35/h7-10,15-18H,4-6,11-14,19-20H2,1-3H3,(H,30,31)(H,32,36)
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| InChIKey |
HUUSVDCCWNOULF-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