General Information of the Compound
| Compound ID |
CP0478165
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| Compound Name |
2-amino-N-[(1S)-1-[1-[4-(3-hydroxypropylamino)-4-oxobutyl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C21H33N7O4
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| Molecular Weight |
447.54
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCO
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| InChI |
InChI=1S/C21H33N7O4/c1-21(2,22)20(31)24-17(15-32-14-16-8-4-3-5-9-16)19-25-26-27-28(19)12-6-10-18(30)23-11-7-13-29/h3-5,8-9,17,29H,6-7,10-15,22H2,1-2H3,(H,23,30)(H,24,31)/t17-/m1/s1
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| InChIKey |
HWCAGAXMYPKILR-QGZVFWFLSA-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