General Information of the Compound
| Compound ID |
CP0388448
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| Compound Name |
5-(1-hydroxy-3-methyl-2,3-dihydro-1H-inden-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C16H16N2O
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| Molecular Weight |
252.317
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| Canonical SMILES |
CC1CC(O)c2ccc(cc12)-c1ccc(C#N)n1C
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| InChI |
InChI=1S/C16H16N2O/c1-10-7-16(19)13-5-3-11(8-14(10)13)15-6-4-12(9-17)18(15)2/h3-6,8,10,16,19H,7H2,1-2H3
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| InChIKey |
JQJZUJOSCOJKOM-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