General Information of the Compound
| Compound ID |
CP0577246
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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-pyridin-4-yloxyphenyl]-4-oxochromene-2-carboxamide
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| Formula |
C41H35N7O6
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| Molecular Weight |
721.774
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(Oc4ccncc4)ccc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
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| InChI |
InChI=1S/C41H35N7O6/c1-51-37-21-27-16-20-47(25-28(27)22-38(37)52-2)19-15-26-7-9-29(10-8-26)48-45-40(44-46-48)33-23-31(53-30-13-17-42-18-14-30)11-12-34(33)43-41(50)39-24-35(49)32-5-3-4-6-36(32)54-39/h3-14,17-18,21-24H,15-16,19-20,25H2,1-2H3,(H,43,50)
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| InChIKey |
ZSZDLTGWRNLYQW-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