General Information of the Compound
| Compound ID |
CP0419644
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| Compound Name |
8-(3,4-difluorophenyl)-6,10-dimethyl-2-oxa-4,5,11,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
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| Structure |
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| Formula |
C15H12F2N4O
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| Molecular Weight |
302.284
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| Canonical SMILES |
Cc1n[nH]c2Oc3[nH]nc(C)c3C(c12)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C15H12F2N4O/c1-6-11-13(8-3-4-9(16)10(17)5-8)12-7(2)19-21-15(12)22-14(11)20-18-6/h3-5,13H,1-2H3,(H,18,20)(H,19,21)
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| InChIKey |
JKOZOBNKGCZYHT-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