General Information of the Compound
| Compound ID |
CP0438715
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| Compound Name |
3-[(1S)-1-[1-(4-fluorophenyl)-6-methylbenzimidazol-2-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]ethyl]-1-(4-phenoxyphenyl)imidazolidine-2,4-dione
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| Structure |
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| Formula |
C40H40FN5O4
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| Molecular Weight |
673.789
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| Canonical SMILES |
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2-c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C40H40FN5O4/c1-26(2)39(48)43-21-19-28(20-22-43)24-36(38-42-34-18-9-27(3)23-35(34)45(38)31-12-10-29(41)11-13-31)46-37(47)25-44(40(46)49)30-14-16-33(17-15-30)50-32-7-5-4-6-8-32/h4-18,23,26,28,36H,19-22,24-25H2,1-3H3/t36-/m0/s1
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| InChIKey |
MBGJBVDBIAHATP-BHVANESWSA-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