General Information of the Compound
| Compound ID |
CP0180227
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| Compound Name |
19-(oxan-4-yl)-1,14,16,22-tetrazatricyclo[13.5.2.018,21]docosa-15,17,19,21-tetraen-6-ol
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| Structure |
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| Formula |
C23H36N4O2
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| Molecular Weight |
400.567
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| Canonical SMILES |
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)C1CCOCC1
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| InChI |
InChI=1S/C23H36N4O2/c28-19-8-4-2-1-3-6-12-24-23-25-16-20-21(18-10-14-29-15-11-18)17-27(22(20)26-23)13-7-5-9-19/h16-19,28H,1-15H2,(H,24,25,26)
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| InChIKey |
YXLDQBFWFZDCOF-UHFFFAOYSA-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