General Information of the Compound
| Compound ID |
CP0470789
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-N-(3-cyclohexylphenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C30H30ClFN4O2
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| Molecular Weight |
533.047
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| Canonical SMILES |
CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1cccc(c1)C1CCCCC1
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| InChI |
InChI=1S/C30H30ClFN4O2/c1-30(2)16-21-25-24(34-29(35-25)36-26-22(31)12-7-13-23(26)32)15-20(27(21)38-30)28(37)33-19-11-6-10-18(14-19)17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9,16H2,1-2H3,(H,33,37)(H2,34,35,36)
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| InChIKey |
DESYQGCLCRHGDH-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