General Information of the Compound
| Compound ID |
CP0541779
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| Compound Name |
2-amino-N-{(S)-2-benzyloxy-1-[1-(2-butylcarbamoyl-ethyl)-1H-tetrazol-5-yl]-ethyl}-2-methyl-propionamide
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| Structure |
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| Formula |
C21H33N7O3
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| Molecular Weight |
431.541
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| Canonical SMILES |
CCCCNC(=O)CCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C21H33N7O3/c1-4-5-12-23-18(29)11-13-28-19(25-26-27-28)17(24-20(30)21(2,3)22)15-31-14-16-9-7-6-8-10-16/h6-10,17H,4-5,11-15,22H2,1-3H3,(H,23,29)(H,24,30)/t17-/m1/s1
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| InChIKey |
JIYGGZBKPXFOMQ-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