General Information of the Compound
| Compound ID |
CP0090679
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| Compound Name |
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]-3-phenoxypropan-2-ol
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| Structure |
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| Formula |
C23H29N3O2
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| Molecular Weight |
379.504
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| Canonical SMILES |
CN(CC(O)COc1ccccc1)Cc1c(C)nn(Cc2ccccc2)c1C
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| InChI |
InChI=1S/C23H29N3O2/c1-18-23(19(2)26(24-18)14-20-10-6-4-7-11-20)16-25(3)15-21(27)17-28-22-12-8-5-9-13-22/h4-13,21,27H,14-17H2,1-3H3
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| InChIKey |
WITPFRNFEGTONT-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