General Information of the Compound
| Compound ID |
CP0911628
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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-acetamidoacetamide
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| Formula |
C32H34N6O3
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| Molecular Weight |
550.663
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(C)=O)cc1
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| InChI |
InChI=1S/C32H34N6O3/c1-22(39)33-20-31(40)35-29(18-25-19-34-28-11-7-6-10-27(25)28)32-37-36-30(17-14-23-8-4-3-5-9-23)38(32)21-24-12-15-26(41-2)16-13-24/h3-13,15-16,19,29,34H,14,17-18,20-21H2,1-2H3,(H,33,39)(H,35,40)/t29-/m1/s1
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| InChIKey |
JZHHFKHASMVGLP-GDLZYMKVSA-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