General Information of the Compound
| Compound ID |
CP0575171
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| Compound Name |
6-(3,3-difluoroazetidin-1-yl)-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
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| Structure |
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| Formula |
C14H12F2N4S
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| Molecular Weight |
306.341
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CC(F)(F)C1
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| InChI |
InChI=1S/C14H12F2N4S/c1-7-3-8(2)19-13-9(7)10-11(21-13)12(18-6-17-10)20-4-14(15,16)5-20/h3,6H,4-5H2,1-2H3
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| InChIKey |
PIRHUQNBLNAPPR-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