General Information of the Compound
| Compound ID |
CP0416733
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| Compound Name |
3-N-(7-chloroquinolin-4-yl)-5-(morpholin-4-ylmethyl)-1-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine
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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 |
Clc1ccc2c(Nc3cc(CN4CCOCC4)cc(NCCN4CCCCC4)c3)ccnc2c1
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| InChI |
InChI=1S/C27H34ClN5O/c28-22-4-5-25-26(6-7-30-27(25)18-22)31-24-17-21(20-33-12-14-34-15-13-33)16-23(19-24)29-8-11-32-9-2-1-3-10-32/h4-7,16-19,29H,1-3,8-15,20H2,(H,30,31)
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| InChIKey |
YPLICUFDFKHGBN-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