General Information of the Compound
| Compound ID |
CP0397196
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| Compound Name |
5-(1-ethyl-1-hydroxy-3,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C19H22N2O
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| Molecular Weight |
294.398
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| Canonical SMILES |
CCC1(O)CC(C)(C)c2cc(ccc12)-c1ccc(C#N)n1C
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| InChI |
InChI=1S/C19H22N2O/c1-5-19(22)12-18(2,3)16-10-13(6-8-15(16)19)17-9-7-14(11-20)21(17)4/h6-10,22H,5,12H2,1-4H3
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| InChIKey |
RXTQWWQEXOQALH-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