General Information of the Compound
| Compound ID |
CP0424830
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| Compound Name |
(R)-N-(1-(5-((1H-indol-3-yl)methyl)-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 |
C25H27N7O
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| Molecular Weight |
441.539
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2c[nH]c3ccccc23)[nH]1
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| InChI |
InChI=1S/C25H27N7O/c1-25(2,26)24(33)29-21(11-15-13-27-19-9-5-3-7-17(15)19)23-30-22(31-32-23)12-16-14-28-20-10-6-4-8-18(16)20/h3-10,13-14,21,27-28H,11-12,26H2,1-2H3,(H,29,33)(H,30,31,32)/t21-/m1/s1
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| InChIKey |
DFFXSXZBNFOLJE-OAQYLSRUSA-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