General Information of the Compound
| Compound ID |
CP0416734
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| Compound Name |
N-[3-[(7-chloroquinolin-4-yl)amino]-5-(diethylaminomethyl)phenyl]-2-piperidin-1-ylacetamide
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| Structure |
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| Formula |
C27H34ClN5O
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| Molecular Weight |
480.056
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| Canonical SMILES |
CCN(CC)Cc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
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| InChI |
InChI=1S/C27H34ClN5O/c1-3-32(4-2)18-20-14-22(30-25-10-11-29-26-16-21(28)8-9-24(25)26)17-23(15-20)31-27(34)19-33-12-6-5-7-13-33/h8-11,14-17H,3-7,12-13,18-19H2,1-2H3,(H,29,30)(H,31,34)
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| InChIKey |
BWBVBRWUSUPAGL-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