General Information of the Compound
| Compound ID |
CP0046996
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| Compound Name |
19-pyridin-3-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 |
C23H31N5O
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| Molecular Weight |
393.535
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| Canonical SMILES |
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1cccnc1
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| InChI |
InChI=1S/C23H31N5O/c29-19-10-4-2-1-3-6-13-25-23-26-16-20-21(18-9-8-12-24-15-18)17-28(22(20)27-23)14-7-5-11-19/h8-9,12,15-17,19,29H,1-7,10-11,13-14H2,(H,25,26,27)
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| InChIKey |
XBFYWJOKBDZTSR-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