General Information of the Compound
| Compound ID |
CP0564666
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| Compound Name |
N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-6-fluoro-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C38H35FN6O7
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| Molecular Weight |
706.731
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4cc(F)ccc4o3)Cc2cc1OC
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| InChI |
InChI=1S/C38H35FN6O7/c1-48-32-15-23-12-14-44(21-24(23)16-33(32)49-2)13-11-22-5-8-26(9-6-22)45-42-37(41-43-45)27-18-34(50-3)35(51-4)19-29(27)40-38(47)36-20-30(46)28-17-25(39)7-10-31(28)52-36/h5-10,15-20H,11-14,21H2,1-4H3,(H,40,47)
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| InChIKey |
FEPGCAIHAHOGJB-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