General Information of the Compound
| Compound ID |
CP0285233
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| Compound Name |
(S)-2-amino-N-(2-(benzyloxy)-1-(1-(2-cyanoethyl)-1H-tetrazol-5-yl)ethyl)-2-methylpropanamide
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| Structure |
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| Formula |
C17H23N7O2
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| Molecular Weight |
357.418
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC#N
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| InChI |
InChI=1S/C17H23N7O2/c1-17(2,19)16(25)20-14(12-26-11-13-7-4-3-5-8-13)15-21-22-23-24(15)10-6-9-18/h3-5,7-8,14H,6,10-12,19H2,1-2H3,(H,20,25)/t14-/m1/s1
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| InChIKey |
MYJPZNZBOVFLEU-CQSZACIVSA-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