General Information of the Compound
| Compound ID |
CP0419722
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| Compound Name |
(R)-N-(1-(4-(2,4-dimethoxybenzyl)-5-benzyl-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 |
C32H36N6O3
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| Molecular Weight |
552.679
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| Canonical SMILES |
COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1
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| InChI |
InChI=1S/C32H36N6O3/c1-32(2,33)31(39)35-27(17-23-19-34-26-13-9-8-12-25(23)26)30-37-36-29(16-21-10-6-5-7-11-21)38(30)20-22-14-15-24(40-3)18-28(22)41-4/h5-15,18-19,27,34H,16-17,20,33H2,1-4H3,(H,35,39)/t27-/m1/s1
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| InChIKey |
PWQYLDSMPYWAPW-HHHXNRCGSA-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