General Information of the Compound
| Compound ID |
CP0576285
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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-pyridin-4-ylbenzamide
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| Formula |
C40H39N7O5
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| Molecular Weight |
697.796
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3ccc(cc3)-c3ccncc3)Cc2cc1OC
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| InChI |
InChI=1S/C40H39N7O5/c1-49-35-21-30-16-20-46(25-31(30)22-36(35)50-2)19-15-26-5-11-32(12-6-26)47-44-39(43-45-47)33-23-37(51-3)38(52-4)24-34(33)42-40(48)29-9-7-27(8-10-29)28-13-17-41-18-14-28/h5-14,17-18,21-24H,15-16,19-20,25H2,1-4H3,(H,42,48)
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| InChIKey |
IJGIQGNHDYQIKZ-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