General Information of the Compound
| Compound ID |
CP0103666
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| Compound Name |
(S)-N-(1-(2-(2-(methylsulfonamido)benzyl)-2H-tetrazol-5-yl)-2-(benzyloxy)ethyl)-2-amino-2-methylpropanamide
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| Structure |
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| Formula |
C22H29N7O4S
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| Molecular Weight |
487.586
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2ccccc2NS(C)(=O)=O)n1
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| InChI |
InChI=1S/C22H29N7O4S/c1-22(2,23)21(30)24-19(15-33-14-16-9-5-4-6-10-16)20-25-28-29(26-20)13-17-11-7-8-12-18(17)27-34(3,31)32/h4-12,19,27H,13-15,23H2,1-3H3,(H,24,30)/t19-/m1/s1
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| InChIKey |
PXXWQUHTWRHBCK-LJQANCHMSA-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