General Information of the Compound
| Compound ID |
CP0923155
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| Compound Name |
(R)-N-[2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(benzylamino)acetamide
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| Formula |
C37H38N6O2
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| Molecular Weight |
598.751
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNCc2ccccc2)cc1
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| InChI |
InChI=1S/C37H38N6O2/c1-45-31-19-16-29(17-20-31)26-43-35(21-18-27-10-4-2-5-11-27)41-42-37(43)34(22-30-24-39-33-15-9-8-14-32(30)33)40-36(44)25-38-23-28-12-6-3-7-13-28/h2-17,19-20,24,34,38-39H,18,21-23,25-26H2,1H3,(H,40,44)/t34-/m1/s1
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| InChIKey |
ZXEYOSYDBJPUGS-UUWRZZSWSA-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