General Information of the Compound
| Compound ID |
CP0378568
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| Compound Name |
(R)-2-amino-N-(1-(5-benzyl-4-phenethyl-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 |
C31H34N6O
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| Molecular Weight |
506.654
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1CCc1ccccc1
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| InChI |
InChI=1S/C31H34N6O/c1-31(2,32)30(38)34-27(20-24-21-33-26-16-10-9-15-25(24)26)29-36-35-28(19-23-13-7-4-8-14-23)37(29)18-17-22-11-5-3-6-12-22/h3-16,21,27,33H,17-20,32H2,1-2H3,(H,34,38)/t27-/m1/s1
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| InChIKey |
KXBBFSDVDGTOMG-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