General Information of the Compound
| Compound ID |
CP0010777
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| Compound Name |
1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)indolin-2-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 |
OC(CN1C(=O)Cc2ccccc12)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C20H22N2O2/c23-18(13-21-10-9-15-5-1-2-7-17(15)12-21)14-22-19-8-4-3-6-16(19)11-20(22)24/h1-8,18,23H,9-14H2
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| InChIKey |
HJAFAEFTKCKMFF-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