General Information of the Compound
| Compound ID |
CP0530462
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| Compound Name |
(R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)-2-(pyridin-4-yl)acetamide
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| Structure |
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| Formula |
C36H33N7O2
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| Molecular Weight |
595.707
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccncc2)c2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C36H33N7O2/c1-45-27-13-10-25(11-14-27)23-43-33(15-12-26-21-38-31-8-4-2-6-28(26)31)41-42-36(43)35(30-22-39-32-9-5-3-7-29(30)32)40-34(44)20-24-16-18-37-19-17-24/h2-11,13-14,16-19,21-22,35,38-39H,12,15,20,23H2,1H3,(H,40,44)/t35-/m1/s1
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| InChIKey |
UZYFEJDKWKHRKF-PGUFJCEWSA-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