General Information of the Compound
| Compound ID |
CP0511417
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| Compound Name |
1-[[1-[(2-ethenylphenyl)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 |
C28H35N3O3
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| Molecular Weight |
461.606
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| Canonical SMILES |
CN(CC(O)COc1ccc(OCC=C)cc1)Cc1c(C)nn(Cc2ccccc2C=C)c1C
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| InChI |
InChI=1S/C28H35N3O3/c1-6-16-33-26-12-14-27(15-13-26)34-20-25(32)18-30(5)19-28-21(3)29-31(22(28)4)17-24-11-9-8-10-23(24)7-2/h6-15,25,32H,1-2,16-20H2,3-5H3
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| InChIKey |
VYEMMWLYLIPJES-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