General Information of the Compound
| Compound ID |
CP0432276
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| Compound Name |
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]acetamide
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| Structure |
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| Formula |
C30H46N8O4
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| Molecular Weight |
582.75
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| Canonical SMILES |
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)COCCOCCOCCN=[N+]=[N-])c1ccccc1
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| InChI |
InChI=1S/C30H46N8O4/c1-22(2)30-35-34-23(3)38(30)27-19-25-9-10-26(20-27)37(25)13-11-28(24-7-5-4-6-8-24)33-29(39)21-42-18-17-41-16-15-40-14-12-32-36-31/h4-8,22,25-28H,9-21H2,1-3H3,(H,33,39)/t25?,26?,27?,28-/m0/s1
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| InChIKey |
IJVTWPWKUNXIPI-OYGGZRDRSA-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