General Information of the Compound
| Compound ID |
CP0531869
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| Compound Name |
11-azido-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]undecanamide
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| Structure |
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| Formula |
C33H52N8O
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| Molecular Weight |
576.834
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| Canonical SMILES |
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CCCCCCCCCCN=[N+]=[N-])c1ccccc1
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| InChI |
InChI=1S/C33H52N8O/c1-25(2)33-38-37-26(3)41(33)30-23-28-18-19-29(24-30)40(28)22-20-31(27-15-11-10-12-16-27)36-32(42)17-13-8-6-4-5-7-9-14-21-35-39-34/h10-12,15-16,25,28-31H,4-9,13-14,17-24H2,1-3H3,(H,36,42)/t28?,29?,30?,31-/m0/s1
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| InChIKey |
GDLSLGZDKTYSCE-AAKDHKQZSA-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