General Information of the Compound
| Compound ID |
CP0384241
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| Compound Name |
5-amino-N-[1-(3,4-difluorophenyl)azetidin-3-yl]-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
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| Structure |
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| Formula |
C19H16F2N6OS
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| Molecular Weight |
414.441
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| Canonical SMILES |
Cc1cc2nncn2c2sc(C(=O)NC3CN(C3)c3ccc(F)c(F)c3)c(N)c12
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| InChI |
InChI=1S/C19H16F2N6OS/c1-9-4-14-25-23-8-27(14)19-15(9)16(22)17(29-19)18(28)24-10-6-26(7-10)11-2-3-12(20)13(21)5-11/h2-5,8,10H,6-7,22H2,1H3,(H,24,28)
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| InChIKey |
HHTSPKZBYSHYMI-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