General Information of the Compound
| Compound ID |
CP0554125
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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-(2-pyridin-3-ylethoxy)phenyl]-4-oxochromene-2-carboxamide
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| Formula |
C43H39N7O6
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| Molecular Weight |
749.828
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OCCc4cccnc4)ccc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
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| InChI |
InChI=1S/C43H39N7O6/c1-53-39-22-30-16-20-49(27-31(30)23-40(39)54-2)19-15-28-9-11-32(12-10-28)50-47-42(46-48-50)35-24-33(55-21-17-29-6-5-18-44-26-29)13-14-36(35)45-43(52)41-25-37(51)34-7-3-4-8-38(34)56-41/h3-14,18,22-26H,15-17,19-21,27H2,1-2H3,(H,45,52)
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| InChIKey |
RQZREBGUWYXWLE-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