General Information of the Compound
| Compound ID |
CP0501750
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| Compound Name |
2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benzyloxy)ethyl]-1H-1,2,3,4-tetrazol-1-yl}ethyl N-(4-hydroxybutyl)-N-methylcarbamate
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| Structure |
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| Formula |
C22H35N7O5
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| Molecular Weight |
477.566
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| Canonical SMILES |
CN(CCCCO)C(=O)OCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C22H35N7O5/c1-22(2,23)20(31)24-18(16-33-15-17-9-5-4-6-10-17)19-25-26-27-29(19)12-14-34-21(32)28(3)11-7-8-13-30/h4-6,9-10,18,30H,7-8,11-16,23H2,1-3H3,(H,24,31)/t18-/m1/s1
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| InChIKey |
TWGBAIZTRVRIAV-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