General Information of the Compound
| Compound ID |
CP0466496
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| Compound Name |
4-[3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2-hydroxypropoxy]benzonitrile
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| Structure |
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| Formula |
C24H27ClN4O2
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| Molecular Weight |
438.959
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| Canonical SMILES |
CN(CC(O)COc1ccc(cc1)C#N)Cc1c(C)nn(Cc2ccccc2Cl)c1C
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| InChI |
InChI=1S/C24H27ClN4O2/c1-17-23(18(2)29(27-17)13-20-6-4-5-7-24(20)25)15-28(3)14-21(30)16-31-22-10-8-19(12-26)9-11-22/h4-11,21,30H,13-16H2,1-3H3
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| InChIKey |
XYKRRSKYFPOBFH-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