General Information of the Compound
| Compound ID |
CP0900304
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| Compound Name |
5-(3-Phenoxybenzylamino)-2-propylisoquinolin-1(2H)-one
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| Structure |
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| Formula |
C25H24N2O2
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| Molecular Weight |
384.479
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| Canonical SMILES |
CCCn1ccc2c(NCc3cccc(Oc4ccccc4)c3)cccc2c1=O
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| InChI |
InChI=1S/C25H24N2O2/c1-2-15-27-16-14-22-23(25(27)28)12-7-13-24(22)26-18-19-8-6-11-21(17-19)29-20-9-4-3-5-10-20/h3-14,16-17,26H,2,15,18H2,1H3
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| InChIKey |
WDTPXPATBAAEGM-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