General Information of the Compound
| Compound ID |
CP0540256
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| Compound Name |
2-(2-chloro-6-fluorophenyl)-7-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethynyl]-4,4-dimethyl-3H-chromeno[3,4-d]imidazole
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| Structure |
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| Formula |
C27H16Cl2F4N2O
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| Molecular Weight |
531.336
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| Canonical SMILES |
CC1(C)Oc2cc(ccc2-c2nc([nH]c12)-c1c(F)cccc1Cl)C#Cc1ccc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C27H16Cl2F4N2O/c1-26(2)24-23(34-25(35-24)22-18(28)4-3-5-20(22)30)17-11-7-14(12-21(17)36-26)6-8-15-9-10-16(13-19(15)29)27(31,32)33/h3-5,7,9-13H,1-2H3,(H,34,35)
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| InChIKey |
RXOROXOZUXYILF-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