General Information of the Compound
| Compound ID |
CP0454065
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| Compound Name |
1-(2,4-dimethyl-6-(2-(piperidin-1-yl)ethoxy)phenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
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| Structure |
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| Formula |
C31H43N3O
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| Molecular Weight |
473.705
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| Canonical SMILES |
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C31H43N3O/c1-6-15-34(16-7-2)31-25(5)32-30(26-13-9-10-14-27(26)31)29-24(4)21-23(3)22-28(29)35-20-19-33-17-11-8-12-18-33/h9-10,13-14,21-22H,6-8,11-12,15-20H2,1-5H3
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| InChIKey |
MSWZGESSMICRIN-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