General Information of the Compound
| Compound ID |
CP0506560
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| Compound Name |
5-(1-hydroxy-1,3,3-trimethyl-2,3-dihydro-1H-inden-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C18H20N2O
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| Molecular Weight |
280.371
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| Canonical SMILES |
Cn1c(ccc1-c1ccc2c(c1)C(C)(C)CC2(C)O)C#N
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| InChI |
InChI=1S/C18H20N2O/c1-17(2)11-18(3,21)14-7-5-12(9-15(14)17)16-8-6-13(10-19)20(16)4/h5-9,21H,11H2,1-4H3
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| InChIKey |
PBLRRGSQVHWSFP-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