General Information of the Compound
| Compound ID |
CP0464261
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| Compound Name |
(S)-N-(1-(4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
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| Structure |
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| Formula |
C33H38N6O3
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| Molecular Weight |
566.706
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1
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| InChI |
InChI=1S/C33H38N6O3/c1-33(2,34)32(40)36-28(18-24-20-35-27-13-9-8-12-26(24)27)31-38-37-30(17-14-22-10-6-5-7-11-22)39(31)21-23-15-16-25(41-3)19-29(23)42-4/h5-13,15-16,19-20,28,35H,14,17-18,21,34H2,1-4H3,(H,36,40)/t28-/m0/s1
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| InChIKey |
SMZXTOBUWJQADE-NDEPHWFRSA-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