General Information of the Compound
| Compound ID |
CP0440581
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| Compound Name |
2-amino-N-[(1S)-1-[1-[4-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-oxobutyl]tetrazol-5-yl]-2-phenylmethoxyethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C22H35N7O6S
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| Molecular Weight |
525.632
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCS(=O)(=O)CCO
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| InChI |
InChI=1S/C22H35N7O6S/c1-22(2,23)21(32)25-18(16-35-15-17-7-4-3-5-8-17)20-26-27-28-29(20)11-6-9-19(31)24-10-13-36(33,34)14-12-30/h3-5,7-8,18,30H,6,9-16,23H2,1-2H3,(H,24,31)(H,25,32)/t18-/m1/s1
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| InChIKey |
CHOQYAOKYWJVRP-GOSISDBHSA-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