General Information of the Compound
| Compound ID |
CP0419728
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| Compound Name |
2-amino-N-((R)-1-(5-benzyl-4-(2,2-diphenylethyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
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| Structure |
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| Formula |
C37H38N6O
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| Molecular Weight |
582.752
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1CC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C37H38N6O/c1-37(2,38)36(44)40-33(23-29-24-39-32-21-13-12-20-30(29)32)35-42-41-34(22-26-14-6-3-7-15-26)43(35)25-31(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-21,24,31,33,39H,22-23,25,38H2,1-2H3,(H,40,44)/t33-/m1/s1
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| InChIKey |
VRPQAMNHYIYBFL-MGBGTMOVSA-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