General Information of the Compound
| Compound ID |
CP0241188
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| Compound Name |
(S,E)-2-amino-N-(2-(benzyloxy)-1-(2-cinnamyl-2H-tetrazol-5-yl)ethyl)-2-methylpropanamide
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| Structure |
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| Formula |
C23H28N6O2
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| Molecular Weight |
420.517
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C\C=C\c2ccccc2)n1
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| InChI |
InChI=1S/C23H28N6O2/c1-23(2,24)22(30)25-20(17-31-16-19-12-7-4-8-13-19)21-26-28-29(27-21)15-9-14-18-10-5-3-6-11-18/h3-14,20H,15-17,24H2,1-2H3,(H,25,30)/b14-9+/t20-/m1/s1
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| InChIKey |
JOTFJJSFLSOHIB-CBHXRGPZSA-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