General Information of the Compound
| Compound ID |
CP0433694
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| Compound Name |
2-(6-chloro-9-(methylsulfonyl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
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| Structure |
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| Formula |
C24H13ClN4O2S
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| Molecular Weight |
456.914
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| Canonical SMILES |
CS(=O)(=O)c1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N
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| InChI |
InChI=1S/C24H13ClN4O2S/c1-32(30,31)16-6-8-18-20(10-16)19-9-15(25)5-7-17(19)22-23(18)29-24(28-22)21-13(11-26)3-2-4-14(21)12-27/h2-10H,1H3,(H,28,29)
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| InChIKey |
GBBHIPAOVANFCI-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