General Information of the Compound
| Compound ID |
CP0910508
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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-(2-cyanoacetamido)acetamide
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| Formula |
C33H33N7O3
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| Molecular Weight |
575.673
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CC#N)cc1
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| InChI |
InChI=1S/C33H33N7O3/c1-43-26-14-11-24(12-15-26)22-40-30(16-13-23-7-3-2-4-8-23)38-39-33(40)29(37-32(42)21-36-31(41)17-18-34)19-25-20-35-28-10-6-5-9-27(25)28/h2-12,14-15,20,29,35H,13,16-17,19,21-22H2,1H3,(H,36,41)(H,37,42)/t29-/m1/s1
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| InChIKey |
QQNKCRHOPLCSPT-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