General Information of the Compound
| Compound ID |
CP0503404
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| Compound Name |
1-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-3-(4-prop-2-enoxyphenoxy)propan-2-ol
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| Structure |
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| Formula |
C26H32ClN3O3
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| Molecular Weight |
470.013
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| Canonical SMILES |
CN(CC(O)COc1ccc(OCC=C)cc1)Cc1c(C)nn(Cc2ccccc2Cl)c1C
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| InChI |
InChI=1S/C26H32ClN3O3/c1-5-14-32-23-10-12-24(13-11-23)33-18-22(31)16-29(4)17-25-19(2)28-30(20(25)3)15-21-8-6-7-9-26(21)27/h5-13,22,31H,1,14-18H2,2-4H3
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| InChIKey |
CXHYIMIOOYUOLX-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