General Information of the Compound
| Compound ID |
CP0400850
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| Compound Name |
[(2R,3R)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-fluorobenzoyl]amino]-4-fluorobenzoate
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| Structure |
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| Formula |
C43H40F2N2O12
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| Molecular Weight |
814.791
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| Canonical SMILES |
COc1cc(OC)c2C[C@@H](OC(=O)c3ccc(F)c(NC(=O)c4ccc(F)c(NC(=O)c5ccc(OC)c(OC)c5)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C43H40F2N2O12/c1-51-26-19-33(53-3)27-21-38(39(58-34(27)20-26)25-17-36(55-5)40(57-7)37(18-25)56-6)59-43(50)24-9-12-29(45)31(15-24)47-41(48)22-8-11-28(44)30(14-22)46-42(49)23-10-13-32(52-2)35(16-23)54-4/h8-20,38-39H,21H2,1-7H3,(H,46,49)(H,47,48)/t38-,39-/m1/s1
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| InChIKey |
VZOCQSVCAMLREC-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