General Information of the Compound
| Compound ID |
CP0515972
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| Compound Name |
1-(2,4-dimethyl-6-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
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| Structure |
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| Formula |
C30H41N3O
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| Molecular Weight |
459.678
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| Canonical SMILES |
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCC2)c2ccccc12
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| InChI |
InChI=1S/C30H41N3O/c1-6-14-33(15-7-2)30-24(5)31-29(25-12-8-9-13-26(25)30)28-23(4)20-22(3)21-27(28)34-19-18-32-16-10-11-17-32/h8-9,12-13,20-21H,6-7,10-11,14-19H2,1-5H3
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| InChIKey |
FKYIGAVOGVNPFJ-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