General Information of the Compound
| Compound ID |
CP0569650
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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]-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-4-oxochromene-2-carboxamide
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| Formula |
C43H39N7O7
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| Molecular Weight |
765.827
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OCc4cccnc4)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
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| InChI |
InChI=1S/C43H39N7O7/c1-53-37-19-29-15-18-49(25-30(29)20-38(37)54-2)17-14-27-10-12-31(13-11-27)50-47-42(46-48-50)33-21-40(56-26-28-7-6-16-44-24-28)39(55-3)22-34(33)45-43(52)41-23-35(51)32-8-4-5-9-36(32)57-41/h4-13,16,19-24H,14-15,17-18,25-26H2,1-3H3,(H,45,52)
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| InChIKey |
XIQOOYDNYCZXBM-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