General Information of the Compound
| Compound ID |
CP0445214
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| Compound Name |
2-amino-N-[(1S)-1-[1-[4-(benzylamino)-4-oxobutyl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C25H33N7O3
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| Molecular Weight |
479.585
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCc1ccccc1
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| InChI |
InChI=1S/C25H33N7O3/c1-25(2,26)24(34)28-21(18-35-17-20-12-7-4-8-13-20)23-29-30-31-32(23)15-9-14-22(33)27-16-19-10-5-3-6-11-19/h3-8,10-13,21H,9,14-18,26H2,1-2H3,(H,27,33)(H,28,34)/t21-/m1/s1
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| InChIKey |
JRCDISKIVNLMBW-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