General Information of the Compound
| Compound ID |
CP0370661
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| Compound Name |
2-amino-N-{(S)-1-[1-(2-benzylcarbamoyl-ethyl)-1H-tetrazol-5-yl]-2-benzyloxy-ethyl}-2-methyl-propionamide
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| Structure |
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| Formula |
C24H31N7O3
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| Molecular Weight |
465.558
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCc1ccccc1
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| InChI |
InChI=1S/C24H31N7O3/c1-24(2,25)23(33)27-20(17-34-16-19-11-7-4-8-12-19)22-28-29-30-31(22)14-13-21(32)26-15-18-9-5-3-6-10-18/h3-12,20H,13-17,25H2,1-2H3,(H,26,32)(H,27,33)/t20-/m1/s1
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| InChIKey |
XCNYRQGZBZENQU-HXUWFJFHSA-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