General Information of the Compound
| Compound ID |
CP0531967
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| Compound Name |
2-(2,6-dichlorophenyl)-1-[(1S,3R)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-(hydroxymethyl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
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| Structure |
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| Formula |
C24H25Cl2N3O3
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| Molecular Weight |
474.388
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| Canonical SMILES |
C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cnn(CCO)c1)C(=O)Cc1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C24H25Cl2N3O3/c1-15-18-4-2-5-19(16-12-27-28(13-16)8-9-30)20(18)10-17(14-31)29(15)24(32)11-21-22(25)6-3-7-23(21)26/h2-7,12-13,15,17,30-31H,8-11,14H2,1H3/t15-,17+/m0/s1
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| InChIKey |
MQVQOTKJCOSRHD-DOTOQJQBSA-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