General Information of the Compound
| Compound ID |
CP0565465
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| Compound Name |
2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benzyloxy)ethyl]-1H-1,2,3,4-tetrazol-1-yl}ethyl N-[2-(3-hydroxyphenyl)ethyl]carbamate
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| Structure |
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| Formula |
C25H33N7O5
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| Molecular Weight |
511.583
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCc1cccc(O)c1
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| InChI |
InChI=1S/C25H33N7O5/c1-25(2,26)23(34)28-21(17-36-16-19-7-4-3-5-8-19)22-29-30-31-32(22)13-14-37-24(35)27-12-11-18-9-6-10-20(33)15-18/h3-10,15,21,33H,11-14,16-17,26H2,1-2H3,(H,27,35)(H,28,34)/t21-/m1/s1
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| InChIKey |
JMKGUEVCWGAJAZ-OAQYLSRUSA-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