General Information of the Compound
| Compound ID |
CP0402843
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| Compound Name |
2-(3-chloro-5-fluoropyridin-4-yl)-4,4-dimethyl-7-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3H-chromeno[3,4-d]imidazole
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| Structure |
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| Formula |
C26H16ClF4N3O
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| Molecular Weight |
497.879
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| Canonical SMILES |
CC1(C)Oc2cc(ccc2-c2nc([nH]c12)-c1c(F)cncc1Cl)C#Cc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C26H16ClF4N3O/c1-25(2)23-22(33-24(34-23)21-18(27)12-32-13-19(21)28)16-10-8-14(11-20(16)35-25)7-9-15-5-3-4-6-17(15)26(29,30)31/h3-6,8,10-13H,1-2H3,(H,33,34)
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| InChIKey |
PJJCTEQHJAKFBE-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