General Information of the Compound
| Compound ID |
CP0464178
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| Compound Name |
(R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(2,4-dimethoxybenzyl)-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)-2-(pyridin-2-yl)acetamide
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| Structure |
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| Formula |
C37H35N7O3
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| Molecular Weight |
625.733
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)c(OC)c1
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| InChI |
InChI=1S/C37H35N7O3/c1-46-27-16-14-25(33(20-27)47-2)23-44-34(17-15-24-21-39-31-12-5-3-10-28(24)31)42-43-37(44)36(30-22-40-32-13-6-4-11-29(30)32)41-35(45)19-26-9-7-8-18-38-26/h3-14,16,18,20-22,36,39-40H,15,17,19,23H2,1-2H3,(H,41,45)/t36-/m1/s1
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| InChIKey |
GPBBQJBXTDZSOZ-PSXMRANNSA-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