General Information of the Compound
| Compound ID |
CP0535399
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| Compound Name |
2-(6-ethyl-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
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| Structure |
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| Formula |
C30H22N4O
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| Molecular Weight |
454.533
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| Canonical SMILES |
CCc1ccc2c3nc([nH]c3c3ccc(cc3c2c1)C#CC(C)(C)O)-c1c(cccc1C#N)C#N
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| InChI |
InChI=1S/C30H22N4O/c1-4-18-8-10-22-24(14-18)25-15-19(12-13-30(2,3)35)9-11-23(25)28-27(22)33-29(34-28)26-20(16-31)6-5-7-21(26)17-32/h5-11,14-15,35H,4H2,1-3H3,(H,33,34)
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| InChIKey |
CONHLHMUSRVNPA-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