General Information of the Compound
| Compound ID |
CP0102037
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| Compound Name |
6-(1-propan-2-ylpiperidin-4-yl)oxy-2-(1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C24H37N3O2
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| Molecular Weight |
399.579
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| Canonical SMILES |
CC(C)N1CCC(C1)N1CCc2cc(OC3CCN(CC3)C(C)C)ccc2C1=O
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| InChI |
InChI=1S/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3
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| InChIKey |
GVSNTQYPFWTBAZ-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