General Information of the Compound
| Compound ID |
CP0424813
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| Compound Name |
(R)-N-(1-(4-(4-methylbenzyl)-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 |
C32H36N6O
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| Molecular Weight |
520.681
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| Canonical SMILES |
Cc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1
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| InChI |
InChI=1S/C32H36N6O/c1-22-13-15-24(16-14-22)21-38-29(18-17-23-9-5-4-6-10-23)36-37-30(38)28(35-31(39)32(2,3)33)19-25-20-34-27-12-8-7-11-26(25)27/h4-16,20,28,34H,17-19,21,33H2,1-3H3,(H,35,39)/t28-/m1/s1
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| InChIKey |
WLIORDNTJDEFAZ-MUUNZHRXSA-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