General Information of the Compound
| Compound ID |
CP0494224
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| Compound Name |
(2R)-1-(4-chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol
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| Structure |
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| Formula |
C23H27Cl2N3O2
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| Molecular Weight |
448.394
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| Canonical SMILES |
CN(C[C@@H](O)COc1ccc(Cl)cc1)Cc1c(C)nn(Cc2ccccc2Cl)c1C
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| InChI |
InChI=1S/C23H27Cl2N3O2/c1-16-22(17(2)28(26-16)12-18-6-4-5-7-23(18)25)14-27(3)13-20(29)15-30-21-10-8-19(24)9-11-21/h4-11,20,29H,12-15H2,1-3H3/t20-/m1/s1
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| InChIKey |
PDFAUYXBJDPBCE-HXUWFJFHSA-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