General Information of the Compound
| Compound ID |
CP0046998
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| Compound Name |
19-(4-fluorophenyl)-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 |
C24H31FN4O
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| Molecular Weight |
410.537
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| Canonical SMILES |
OC1CCCCCCCNc2ncc3c(cn(CCCC1)c3n2)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H31FN4O/c25-19-12-10-18(11-13-19)22-17-29-15-7-5-9-20(30)8-4-2-1-3-6-14-26-24-27-16-21(22)23(29)28-24/h10-13,16-17,20,30H,1-9,14-15H2,(H,26,27,28)
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| InChIKey |
GUZDWCGVMFWILW-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