General Information of the Compound
| Compound ID |
CP0572486
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| Compound Name |
SIGA-246
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| Synonyms |
816458-31-8
F925RR824R
SIGA 246
SIGA-246
ST 246
ST-246
TPOXX
Tecovirimat
Tecovirimat
Tecovirimat [USAN:INN]
UNII-F925RR824R
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| Structure |
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| Formula |
C19H15F3N2O3
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| Molecular Weight |
376.334
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)C(=O)NN1C(=O)[C@H]2[C@H]([C@H]3C=C[C@@H]2[C@@H]2C[C@H]32)C1=O
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| InChI |
InChI=1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27/h1-6,10-15H,7H2,(H,23,25)/t10-,11+,12+,13-,14-,15+
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| InChIKey |
CSKDFZIMJXRJGH-VWLPUNTISA-N
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| CAS |
869572-92-9
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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
Clinical Information about the Compound