General Information of the Compound
| Compound ID |
CP0471411
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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]-3,4-difluorobenzamide
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| Structure |
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| Formula |
C35H34F2N6O5
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| Molecular Weight |
656.69
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3ccc(F)c(F)c3)Cc2cc1OC
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| InChI |
InChI=1S/C35H34F2N6O5/c1-45-30-16-22-12-14-42(20-24(22)17-31(30)46-2)13-11-21-5-8-25(9-6-21)43-40-34(39-41-43)26-18-32(47-3)33(48-4)19-29(26)38-35(44)23-7-10-27(36)28(37)15-23/h5-10,15-19H,11-14,20H2,1-4H3,(H,38,44)
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| InChIKey |
JMOACTWTHWSOFQ-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