General Information of the Compound
| Compound ID |
CP0471410
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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]pyridine-3-carboxamide
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| Structure |
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| Formula |
C34H35N7O5
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| Molecular Weight |
621.698
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cccnc3)Cc2cc1OC
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| InChI |
InChI=1S/C34H35N7O5/c1-43-29-16-23-12-15-40(21-25(23)17-30(29)44-2)14-11-22-7-9-26(10-8-22)41-38-33(37-39-41)27-18-31(45-3)32(46-4)19-28(27)36-34(42)24-6-5-13-35-20-24/h5-10,13,16-20H,11-12,14-15,21H2,1-4H3,(H,36,42)
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| InChIKey |
KXSJNTHMBIVWDC-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