General Information of the Compound
| Compound ID |
CP0485328
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| Compound Name |
2-(6-chloro-9-(4-(methylsulfonyl)phenyl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
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| Structure |
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| Formula |
C30H17ClN4O2S
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| Molecular Weight |
533.012
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N
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| InChI |
InChI=1S/C30H17ClN4O2S/c1-38(36,37)22-9-5-17(6-10-22)18-7-11-23-25(13-18)26-14-21(31)8-12-24(26)29-28(23)34-30(35-29)27-19(15-32)3-2-4-20(27)16-33/h2-14H,1H3,(H,34,35)
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| InChIKey |
JZLICPAMRXXVHH-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