General Information of the Compound
| Compound ID |
CP0527347
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| Compound Name |
4-[[5-(1-cycloheptyl-4,4-dimethyl-5-oxopyrazol-3-yl)-2-methoxyphenoxy]methyl]benzonitrile
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| Structure |
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| Formula |
C27H31N3O3
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| Molecular Weight |
445.563
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| Canonical SMILES |
COc1ccc(cc1OCc1ccc(cc1)C#N)C1=NN(C2CCCCCC2)C(=O)C1(C)C
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| InChI |
InChI=1S/C27H31N3O3/c1-27(2)25(29-30(26(27)31)22-8-6-4-5-7-9-22)21-14-15-23(32-3)24(16-21)33-18-20-12-10-19(17-28)11-13-20/h10-16,22H,4-9,18H2,1-3H3
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| InChIKey |
JFUSAIYRWWTYFO-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