General Information of the Compound
| Compound ID |
CP0578197
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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-3-ylmethoxy)phenyl]-4-oxochromene-2-carboxamide
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| Formula |
C42H37N7O6
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| Molecular Weight |
735.801
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OCc4cccnc4)ccc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
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| InChI |
InChI=1S/C42H37N7O6/c1-52-38-20-29-16-19-48(25-30(29)21-39(38)53-2)18-15-27-9-11-31(12-10-27)49-46-41(45-47-49)34-22-32(54-26-28-6-5-17-43-24-28)13-14-35(34)44-42(51)40-23-36(50)33-7-3-4-8-37(33)55-40/h3-14,17,20-24H,15-16,18-19,25-26H2,1-2H3,(H,44,51)
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| InChIKey |
HBZSILJRRIYUAP-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