General Information of the Compound
| Compound ID |
CP0458567
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| Compound Name |
2-(2-chloro-6-fluorophenyl)-4,4-dimethyl-7-[3-(trifluoromethyl)phenyl]-3H-chromeno[3,4-d]imidazole
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| Structure |
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| Formula |
C25H17ClF4N2O
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| Molecular Weight |
472.869
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| Canonical SMILES |
CC1(C)Oc2cc(ccc2-c2[nH]c(nc12)-c1c(F)cccc1Cl)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H17ClF4N2O/c1-24(2)22-21(31-23(32-22)20-17(26)7-4-8-18(20)27)16-10-9-14(12-19(16)33-24)13-5-3-6-15(11-13)25(28,29)30/h3-12H,1-2H3,(H,31,32)
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| InChIKey |
GKSJYHYFOSVYBN-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
Protein ID: PT02025, Prostaglandin E synthase
Protein ID: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2