General Information of the Compound
| Compound ID |
CP0501737
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| Compound Name |
1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N-propyl-N-(2-(pyrrolidin-1-yl)ethyl)isoquinolin-4-amine
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| Structure |
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| Formula |
C28H37N3O
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| Molecular Weight |
431.624
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| Canonical SMILES |
CCCN(CCN1CCCC1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12
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| InChI |
InChI=1S/C28H37N3O/c1-6-13-31(17-16-30-14-9-10-15-30)28-22(4)29-27(23-11-7-8-12-24(23)28)26-21(3)18-20(2)19-25(26)32-5/h7-8,11-12,18-19H,6,9-10,13-17H2,1-5H3
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| InChIKey |
XXVYAUWWKIAOEW-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