General Information of the Compound
| Compound ID |
CP0557692
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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]furan-3-carboxamide
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| Structure |
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| Formula |
C33H34N6O6
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| Molecular Weight |
610.671
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3ccoc3)Cc2cc1OC
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| InChI |
InChI=1S/C33H34N6O6/c1-41-28-15-22-10-13-38(19-24(22)16-29(28)42-2)12-9-21-5-7-25(8-6-21)39-36-32(35-37-39)26-17-30(43-3)31(44-4)18-27(26)34-33(40)23-11-14-45-20-23/h5-8,11,14-18,20H,9-10,12-13,19H2,1-4H3,(H,34,40)
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| InChIKey |
OJSZIXLSBFCESW-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