General Information of the Compound
| Compound ID |
CP0900303
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| Compound Name |
5-(3-Methoxybenzylamino)-2-propylisoquinolin-1(2H)-one
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| Structure |
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
CCCn1ccc2c(NCc3cccc(OC)c3)cccc2c1=O
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| InChI |
InChI=1S/C20H22N2O2/c1-3-11-22-12-10-17-18(20(22)23)8-5-9-19(17)21-14-15-6-4-7-16(13-15)24-2/h4-10,12-13,21H,3,11,14H2,1-2H3
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| InChIKey |
WKTDHQXPGRIDHX-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