General Information of the Compound
| Compound ID |
CP0495988
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| Compound Name |
(R)-N-(1-(4,5-bis(2-(1H-indol-3-yl)ethyl)-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 |
C36H38N8O
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| Molecular Weight |
598.755
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C36H38N8O/c1-36(2,37)35(45)41-32(19-25-22-40-31-14-8-5-11-28(25)31)34-43-42-33(16-15-23-20-38-29-12-6-3-9-26(23)29)44(34)18-17-24-21-39-30-13-7-4-10-27(24)30/h3-14,20-22,32,38-40H,15-19,37H2,1-2H3,(H,41,45)/t32-/m1/s1
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| InChIKey |
ZGAHJKRUYXIYKQ-JGCGQSQUSA-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