General Information of the Compound
| Compound ID |
CP0435730
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| Compound Name |
2-[2-[5-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]tetrazol-1-yl]ethoxy]-N-(4-hydroxybutyl)benzamide
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| Structure |
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| Formula |
C27H37N7O5
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| Molecular Weight |
539.637
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOc1ccccc1C(=O)NCCCCO
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| InChI |
InChI=1S/C27H37N7O5/c1-27(2,28)26(37)30-22(19-38-18-20-10-4-3-5-11-20)24-31-32-33-34(24)15-17-39-23-13-7-6-12-21(23)25(36)29-14-8-9-16-35/h3-7,10-13,22,35H,8-9,14-19,28H2,1-2H3,(H,29,36)(H,30,37)/t22-/m1/s1
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| InChIKey |
NBBGSGXKOWXVHN-JOCHJYFZSA-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