General Information of the Compound
| Compound ID |
CP0433711
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| Compound Name |
2-(6-chloro-9-(2-hydroxypropan-2-yl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
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| Structure |
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| Formula |
C26H17ClN4O
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| Molecular Weight |
436.902
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| Canonical SMILES |
CC(C)(O)c1ccc2c3nc([nH]c3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N
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| InChI |
InChI=1S/C26H17ClN4O/c1-26(2,32)16-6-8-18-20(10-16)21-11-17(27)7-9-19(21)24-23(18)30-25(31-24)22-14(12-28)4-3-5-15(22)13-29/h3-11,32H,1-2H3,(H,30,31)
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| InChIKey |
JDRVKUPJDVCWMU-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