General Information of the Compound
| Compound ID |
CP0439310
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| Compound Name |
2-(6-chloro-9-(3-cyanopropoxy)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
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| Structure |
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| Formula |
C27H16ClN5O
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| Molecular Weight |
461.912
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| Canonical SMILES |
Clc1ccc2c3nc([nH]c3c3ccc(OCCCC#N)cc3c2c1)-c1c(cccc1C#N)C#N
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| InChI |
InChI=1S/C27H16ClN5O/c28-18-6-8-20-22(12-18)23-13-19(34-11-2-1-10-29)7-9-21(23)26-25(20)32-27(33-26)24-16(14-30)4-3-5-17(24)15-31/h3-9,12-13H,1-2,11H2,(H,32,33)
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| InChIKey |
GISCEVADMJJDKN-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