General Information of the Compound
| Compound ID |
CP0165851
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| Compound Name |
(S)-methyl 4-(5-(1-(2-amino-2-methylpropanamido)-2-(benzyloxy)ethyl)-1H-tetrazol-1-yl)butanoate
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| Structure |
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| Formula |
C19H28N6O4
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| Molecular Weight |
404.471
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| Canonical SMILES |
COC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C19H28N6O4/c1-19(2,20)18(27)21-15(13-29-12-14-8-5-4-6-9-14)17-22-23-24-25(17)11-7-10-16(26)28-3/h4-6,8-9,15H,7,10-13,20H2,1-3H3,(H,21,27)/t15-/m1/s1
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| InChIKey |
KBEBQIHOOJILAD-OAHLLOKOSA-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