General Information of the Compound
| Compound ID |
CP0531268
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| Compound Name |
US9163015, 76
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| Structure |
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| Formula |
C17H11ClFN5O
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| Molecular Weight |
355.76
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| Canonical SMILES |
Fc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1ccc(Cl)cn1
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| InChI |
InChI=1S/C17H11ClFN5O/c18-10-3-6-15(21-9-10)25-14-5-4-11(8-12(14)19)22-17-16-13(23-24-17)2-1-7-20-16/h1-9H,(H2,22,23,24)
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| InChIKey |
ZNZMLWPMMYKOOJ-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