General Information of the Compound
| Compound ID |
CP0384243
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| Compound Name |
5-amino-7,11-dimethyl-N-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-3-thia-1,10,12-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 |
C19H16F3N5O3S2
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| Molecular Weight |
483.497
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| Canonical SMILES |
Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F
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| InChI |
InChI=1S/C19H16F3N5O3S2/c1-9-7-13-25-10(2)26-27(13)18-14(9)15(23)16(31-18)17(28)24-8-11-3-5-12(6-4-11)32(29,30)19(20,21)22/h3-7H,8,23H2,1-2H3,(H,24,28)
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| InChIKey |
BZRFTUSZTIRPAQ-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