General Information of the Compound
| Compound ID |
CP0880217
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| Compound Name |
5-(3-Phenylpropylamino)-2-propylisoquinolin-1(2H)-one
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| Structure |
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| Formula |
C21H24N2O
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| Molecular Weight |
320.436
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| Canonical SMILES |
CCCn1ccc2c(NCCCc3ccccc3)cccc2c1=O
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| InChI |
InChI=1S/C21H24N2O/c1-2-15-23-16-13-18-19(21(23)24)11-6-12-20(18)22-14-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-13,16,22H,2,7,10,14-15H2,1H3
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| InChIKey |
INMJEQMITVMGFC-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