General Information of the Compound
| Compound ID |
CP0504346
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| Compound Name |
5-(5-hydroxy-5-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C22H20N2O
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| Molecular Weight |
328.415
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| Canonical SMILES |
Cn1c(ccc1-c1ccc2c(CCCC2(O)c2ccccc2)c1)C#N
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| InChI |
InChI=1S/C22H20N2O/c1-24-19(15-23)10-12-21(24)17-9-11-20-16(14-17)6-5-13-22(20,25)18-7-3-2-4-8-18/h2-4,7-12,14,25H,5-6,13H2,1H3
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| InChIKey |
MRIHHAUNURZCOR-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