General Information of the Compound
| Compound ID |
CP0444539
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| Compound Name |
2-(2-chlorophenyl)-1-((1S,3R)- 3-(hydroxymethyl)-1-methyl- 5-(1-methyl-1H-pyrazol-4-yl)- 3,4-dihydroisoquinolin-2(1H)- yl)ethan-1-one
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| Structure |
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| Formula |
C23H24ClN3O2
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| Molecular Weight |
409.917
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| Canonical SMILES |
C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cnn(C)c1)C(=O)Cc1ccccc1Cl
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| InChI |
InChI=1S/C23H24ClN3O2/c1-15-19-7-5-8-20(17-12-25-26(2)13-17)21(19)11-18(14-28)27(15)23(29)10-16-6-3-4-9-22(16)24/h3-9,12-13,15,18,28H,10-11,14H2,1-2H3/t15-,18+/m0/s1
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| InChIKey |
NUZBWQNSAWYYEI-MAUKXSAKSA-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