General Information of the Compound
| Compound ID |
CP0165849
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| Compound Name |
2-amino-N-((S)-2-benzyloxy-1-{1-[2-(3-phenyl-propylcarbamoyl)-ethyl]-1H-tetrazol-5-yl}-ethyl)-2-methyl-propionamide
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| Structure |
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| Formula |
C26H35N7O3
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| Molecular Weight |
493.612
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCCCc1ccccc1
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| InChI |
InChI=1S/C26H35N7O3/c1-26(2,27)25(35)29-22(19-36-18-21-12-7-4-8-13-21)24-30-31-32-33(24)17-15-23(34)28-16-9-14-20-10-5-3-6-11-20/h3-8,10-13,22H,9,14-19,27H2,1-2H3,(H,28,34)(H,29,35)/t22-/m1/s1
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| InChIKey |
QJJFOUQOIKMQIO-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