General Information of the Compound
| Compound ID |
CP0488456
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| Compound Name |
3,4-dihydro-1H-isoquinolin-2-yl-(2,4-dihydroxy-5-indol-1-ylphenyl)methanone
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| Structure |
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| Formula |
C24H20N2O3
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| Molecular Weight |
384.435
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| Canonical SMILES |
Oc1cc(O)c(cc1C(=O)N1CCc2ccccc2C1)-n1ccc2ccccc12
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| InChI |
InChI=1S/C24H20N2O3/c27-22-14-23(28)21(26-12-10-17-6-3-4-8-20(17)26)13-19(22)24(29)25-11-9-16-5-1-2-7-18(16)15-25/h1-8,10,12-14,27-28H,9,11,15H2
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| InChIKey |
BNQBIHIACMCSBI-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