General Information of the Compound
| Compound ID |
CP0541484
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| Compound Name |
2-[[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]triazol-4-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
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| Structure |
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| Formula |
C30H30F3N5O5
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| Molecular Weight |
597.594
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| Canonical SMILES |
COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(OC(F)(F)F)cc4)nn3)Cc2cc1OC
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| InChI |
InChI=1S/C30H30F3N5O5/c1-40-27-15-20-11-12-37(17-21(20)16-28(27)41-2)13-14-38-18-23(35-36-38)19-42-26-6-4-3-5-25(26)29(39)34-22-7-9-24(10-8-22)43-30(31,32)33/h3-10,15-16,18H,11-14,17,19H2,1-2H3,(H,34,39)
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| InChIKey |
HMFHTSHKRKYNII-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