General Information of the Compound
| Compound ID |
CP0325928
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| Compound Name |
3-fluoro-4-{8,12,14,16-tetraazatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-9-yl}phenol
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| Synonyms |
PMID27774824-Compound-Figure4compound22j
Tetra-cyclic compound 1
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| Structure |
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| Formula |
C19H13FN4O
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| Molecular Weight |
332.338
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| Canonical SMILES |
Oc1ccc(C2Nc3ccccc3-c3ncnc4[nH]cc2c34)c(F)c1
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| InChI |
InChI=1S/C19H13FN4O/c20-14-7-10(25)5-6-11(14)17-13-8-21-19-16(13)18(22-9-23-19)12-3-1-2-4-15(12)24-17/h1-9,17,24-25H,(H,21,22,23)
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| InChIKey |
IROWCEJAOYOCFJ-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
Clinical Information about the Compound
Drug 1 ( Tetra-cyclic compound 1 )
| Drug Name | Tetra-cyclic compound 1 | ||
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| Company | BIOCRYST PHARMACEUTICALS, INC. BABU, Yarlagadda, S. KOTIAN, Pravin, L. CHINTAREDDY, Venkat, R | ||