General Information of the Compound
| Compound ID |
CP0552802
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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]-4-oxo-6-pyridin-4-ylchromene-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(OC)c(OC)cc3NC(=O)c3cc(=O)c4cc(ccc4o3)-c3ccncc3)Cc2cc1OC
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| InChI |
InChI=1S/C43H39N7O7/c1-53-37-20-29-14-18-49(25-30(29)21-38(37)54-2)17-13-26-5-8-31(9-6-26)50-47-42(46-48-50)32-22-39(55-3)40(56-4)23-34(32)45-43(52)41-24-35(51)33-19-28(7-10-36(33)57-41)27-11-15-44-16-12-27/h5-12,15-16,19-24H,13-14,17-18,25H2,1-4H3,(H,45,52)
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| InChIKey |
QYQIEUASJLPQST-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