General Information of the Compound
| Compound ID |
CP0501943
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| Compound Name |
5-(4-(1-hydroxy-2,2-dimethylpropyl)phenyl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C17H20N2O
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| Molecular Weight |
268.36
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| Canonical SMILES |
Cn1c(ccc1-c1ccc(cc1)C(O)C(C)(C)C)C#N
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| InChI |
InChI=1S/C17H20N2O/c1-17(2,3)16(20)13-7-5-12(6-8-13)15-10-9-14(11-18)19(15)4/h5-10,16,20H,1-4H3
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| InChIKey |
OIIFQYCAOJIJDM-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