General Information of the Compound
| Compound ID |
CP0051294
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| Compound Name |
(S)-2-amino-N-(2-(benzyloxy)-1-(1-(4-cyanobutyl)-1H-tetrazol-5-yl)ethyl)-2-methylpropanamide
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| Structure |
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| Formula |
C19H27N7O2
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| Molecular Weight |
385.472
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCCC#N
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| InChI |
InChI=1S/C19H27N7O2/c1-19(2,21)18(27)22-16(14-28-13-15-9-5-3-6-10-15)17-23-24-25-26(17)12-8-4-7-11-20/h3,5-6,9-10,16H,4,7-8,12-14,21H2,1-2H3,(H,22,27)/t16-/m1/s1
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| InChIKey |
YVSYNXWGSBGAME-MRXNPFEDSA-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