General Information of the Compound
| Compound ID |
CP0393467
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| Compound Name |
3-N-(7-chloroquinolin-4-yl)-5-(diethylaminomethyl)-1-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine
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| Structure |
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| Formula |
C27H36ClN5
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| Molecular Weight |
466.073
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| Canonical SMILES |
CCN(CC)Cc1cc(NCCN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
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| InChI |
InChI=1S/C27H36ClN5/c1-3-32(4-2)20-21-16-23(29-12-15-33-13-6-5-7-14-33)19-24(17-21)31-26-10-11-30-27-18-22(28)8-9-25(26)27/h8-11,16-19,29H,3-7,12-15,20H2,1-2H3,(H,30,31)
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| InChIKey |
JLZFEGSJMIIVKX-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