General Information of the Compound
| Compound ID |
CP0438796
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| Compound Name |
3-(4-methoxyphenyl)-1-pyrindan-7,7-dicarbonitrile
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| Structure |
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| Formula |
C17H13N3O
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| Molecular Weight |
275.311
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| Canonical SMILES |
COc1ccc(cc1)-c1cnc2c(CCC2(C#N)C#N)c1
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| InChI |
InChI=1S/C17H13N3O/c1-21-15-4-2-12(3-5-15)14-8-13-6-7-17(10-18,11-19)16(13)20-9-14/h2-5,8-9H,6-7H2,1H3
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| InChIKey |
JIWSNKGVMRFRBY-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
Protein ID: PT06109, Geminin
Protein ID: PT01214, Tyrosine-protein kinase JAK2