General Information of the Compound
| Compound ID |
CP0576100
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| Compound Name |
2-(2,6-dichlorophenyl)-1- ((1S,3R)-3-(hydroxymethyl)-1- methyl-5-(1-(oxetan-3-yl)-1H- pyrazol-4-yl)-3,4- dihydroisoquinolin-2(1H)- yl)ethan-1-one
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| Structure |
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| Formula |
C25H25Cl2N3O3
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| Molecular Weight |
486.399
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| Canonical SMILES |
C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cnn(c1)C1COC1)C(=O)Cc1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C25H25Cl2N3O3/c1-15-19-4-2-5-20(16-10-28-29(11-16)18-13-33-14-18)21(19)8-17(12-31)30(15)25(32)9-22-23(26)6-3-7-24(22)27/h2-7,10-11,15,17-18,31H,8-9,12-14H2,1H3/t15-,17+/m0/s1
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| InChIKey |
LUYDFMYIIATRPY-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