General Information of the Compound
| Compound ID |
CP0012841
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| Compound Name |
4-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C20H22N2O3
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| Molecular Weight |
338.407
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| Canonical SMILES |
OC(CN1CCc2ccccc2C1)CN1C(=O)COc2ccccc12
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| InChI |
InChI=1S/C20H22N2O3/c23-17(12-21-10-9-15-5-1-2-6-16(15)11-21)13-22-18-7-3-4-8-19(18)25-14-20(22)24/h1-8,17,23H,9-14H2
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| InChIKey |
MKPJKVGPXKISSC-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