General Information of the Compound
| Compound ID |
CP0439862
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| Compound Name |
2-chloranyl-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
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| Structure |
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| Formula |
C19H20ClNO3
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| Molecular Weight |
345.826
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| Canonical SMILES |
COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)CCl
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| InChI |
InChI=1S/C19H20ClNO3/c1-23-16-10-14-8-9-21(18(22)12-20)19(13-6-4-3-5-7-13)15(14)11-17(16)24-2/h3-7,10-11,19H,8-9,12H2,1-2H3
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| InChIKey |
UTYPGSLYQSEHGZ-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor