General Information of the Compound
| Compound ID |
CP0401237
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| Compound Name |
[(2R,3R)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 4-fluoro-3-[[4-fluoro-3-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]amino]benzoate
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| Structure |
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| Formula |
C44H42F2N2O13
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| Molecular Weight |
844.817
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| Canonical SMILES |
COc1cc(OC)c2C[C@@H](OC(=O)c3ccc(F)c(NC(=O)c4ccc(F)c(NC(=O)c5cc(OC)c(OC)c(OC)c5)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C44H42F2N2O13/c1-52-26-19-32(53-2)27-21-38(39(60-33(27)20-26)24-15-34(54-3)40(58-7)35(16-24)55-4)61-44(51)23-10-12-29(46)31(14-23)47-42(49)22-9-11-28(45)30(13-22)48-43(50)25-17-36(56-5)41(59-8)37(18-25)57-6/h9-20,38-39H,21H2,1-8H3,(H,47,49)(H,48,50)/t38-,39-/m1/s1
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| InChIKey |
SCOMCZNDFDQIFC-LJEWAXOPSA-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