General Information of the Compound
| Compound ID |
CP0494739
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| Compound Name |
5-(1-hydroxy-3,3-dimethyl-1-(prop-2-ynyl)-2,3-dihydro-1H-inden-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C20H20N2O
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| Molecular Weight |
304.393
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| Canonical SMILES |
Cn1c(ccc1-c1ccc2c(c1)C(C)(C)CC2(O)CC#C)C#N
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| InChI |
InChI=1S/C20H20N2O/c1-5-10-20(23)13-19(2,3)17-11-14(6-8-16(17)20)18-9-7-15(12-21)22(18)4/h1,6-9,11,23H,10,13H2,2-4H3
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| InChIKey |
PCYYZGQWALZAIT-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