General Information of the Compound
| Compound ID |
CP0464286
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| Compound Name |
3-[2-[5-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]tetrazol-1-yl]ethoxy]-N-(2-hydroxyethyl)benzamide
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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)c1nnnn1CCOc1cccc(c1)C(=O)NCCO
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| InChI |
InChI=1S/C25H33N7O5/c1-25(2,26)24(35)28-21(17-36-16-18-7-4-3-5-8-18)22-29-30-31-32(22)12-14-37-20-10-6-9-19(15-20)23(34)27-11-13-33/h3-10,15,21,33H,11-14,16-17,26H2,1-2H3,(H,27,34)(H,28,35)/t21-/m1/s1
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| InChIKey |
HORDACANBDQCMB-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