General Information of the Compound
| Compound ID |
CP0528803
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| Compound Name |
N-(cyclopropylmethyl)-1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N-propylisoquinolin-4-amine
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| Structure |
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| Formula |
C26H32N2O
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| Molecular Weight |
388.555
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| Canonical SMILES |
CCCN(CC1CC1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12
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| InChI |
InChI=1S/C26H32N2O/c1-6-13-28(16-20-11-12-20)26-19(4)27-25(21-9-7-8-10-22(21)26)24-18(3)14-17(2)15-23(24)29-5/h7-10,14-15,20H,6,11-13,16H2,1-5H3
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| InChIKey |
SKBSQIBGOQSEKO-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