General Information of the Compound
| Compound ID |
CP0388390
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| Compound Name |
2-(6-(cyclopropylmethoxy)-9-(2-hydroxy-2-methylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
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| Structure |
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| Formula |
C31H26N4O2
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| Molecular Weight |
486.575
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| Canonical SMILES |
CC(C)(O)Cc1ccc2c3nc([nH]c3c3ccc(OCC4CC4)cc3c2c1)-c1c(cccc1C#N)C#N
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| InChI |
InChI=1S/C31H26N4O2/c1-31(2,36)14-19-8-10-23-25(12-19)26-13-22(37-17-18-6-7-18)9-11-24(26)29-28(23)34-30(35-29)27-20(15-32)4-3-5-21(27)16-33/h3-5,8-13,18,36H,6-7,14,17H2,1-2H3,(H,34,35)
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| InChIKey |
IJUAGNSOAHCCCO-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