General Information of the Compound
Compound ID |
CP0954373
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Compound Name |
1-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)-2,2-difluoropropane-1,3-diyl diacetate
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Structure |
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Formula |
C29H28F2N2O5
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Molecular Weight |
522.548
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Canonical SMILES |
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(OC(C)=O)C(F)(F)COC(C)=O)cc21
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InChI |
InChI=1S/C29H28F2N2O5/c1-4-33-25-17-21(26(38-20(3)35)28(30,31)18-37-19(2)34)15-16-24(25)32-27(33)29(36,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-17,26,36H,4,18H2,1-3H3
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InChIKey |
LXOILSAKILMTFI-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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