General Information of the Compound
| Compound ID |
CP0532792
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| Compound Name |
5-amino-7-methyl-N-[[4-(trifluoromethylsulfonyl)phenyl]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 |
C18H14F3N5O3S2
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| Molecular Weight |
469.47
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| Canonical SMILES |
Cc1cc2nncn2c2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c12
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| InChI |
InChI=1S/C18H14F3N5O3S2/c1-9-6-12-25-24-8-26(12)17-13(9)14(22)15(30-17)16(27)23-7-10-2-4-11(5-3-10)31(28,29)18(19,20)21/h2-6,8H,7,22H2,1H3,(H,23,27)
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| InChIKey |
KWEKEHDGPHUQIL-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