General Information of the Compound
| Compound ID |
CP0474467
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| Compound Name |
US8912224, 17
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| Structure |
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| Formula |
C26H20FN5O3S
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| Molecular Weight |
501.543
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| Canonical SMILES |
Fc1cccc(c1)C1CCc2cc(Oc3ncc(s3)C(=O)NCc3nnc4ccccn34)ccc2O1
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| InChI |
InChI=1S/C26H20FN5O3S/c27-18-5-3-4-16(12-18)20-9-7-17-13-19(8-10-21(17)35-20)34-26-29-14-22(36-26)25(33)28-15-24-31-30-23-6-1-2-11-32(23)24/h1-6,8,10-14,20H,7,9,15H2,(H,28,33)
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| InChIKey |
VFJRNBBPVGMFII-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