General Information of the Compound
| Compound ID |
CP0949400
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| Compound Name |
5-(4-Methoxyphenethylamino)-2-propylisoquinolin-1(2H)-one
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| Structure |
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| Formula |
C21H24N2O2
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| Molecular Weight |
336.435
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| Canonical SMILES |
CCCn1ccc2c(NCCc3ccc(OC)cc3)cccc2c1=O
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| InChI |
InChI=1S/C21H24N2O2/c1-3-14-23-15-12-18-19(21(23)24)5-4-6-20(18)22-13-11-16-7-9-17(25-2)10-8-16/h4-10,12,15,22H,3,11,13-14H2,1-2H3
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| InChIKey |
OPUWYJQKOKACKJ-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