General Information of the Compound
| Compound ID |
CP0487096
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| Compound Name |
5-(5-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C17H18N2O
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| Molecular Weight |
266.344
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| Canonical SMILES |
Cn1c(ccc1-c1ccc2c(CCCC2(C)O)c1)C#N
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| InChI |
InChI=1S/C17H18N2O/c1-17(20)9-3-4-12-10-13(5-7-15(12)17)16-8-6-14(11-18)19(16)2/h5-8,10,20H,3-4,9H2,1-2H3
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| InChIKey |
JBKICUUTJUTNKV-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