General Information of the Compound
| Compound ID |
CP0378564
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| Compound Name |
(R)-2-amino-N-(1-(5-benzyl-4-(pyridin-2-ylmethyl)-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 |
C29H31N7O
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| Molecular Weight |
493.615
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccccn1
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| InChI |
InChI=1S/C29H31N7O/c1-29(2,30)28(37)33-25(17-21-18-32-24-14-7-6-13-23(21)24)27-35-34-26(16-20-10-4-3-5-11-20)36(27)19-22-12-8-9-15-31-22/h3-15,18,25,32H,16-17,19,30H2,1-2H3,(H,33,37)/t25-/m1/s1
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| InChIKey |
TYFUSMGPMCUVFH-RUZDIDTESA-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