General Information of the Compound
| Compound ID |
CP0047355
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| Compound Name |
2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
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| Structure |
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| Formula |
C23H11ClN4
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| Molecular Weight |
378.822
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| Canonical SMILES |
Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N
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| InChI |
InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
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| InChIKey |
BVFLHOOKHPFDCT-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: PT02692, Aldo-keto reductase family 1 member C3
Protein ID: PT02025, Prostaglandin E synthase
Cell-based Assay