General Information of the Compound
| Compound ID |
CP0503701
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| Compound Name |
US8802663, 9
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| Structure |
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| Formula |
C23H16FN5O3S
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| Molecular Weight |
461.478
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)-c1noc(n1)-c1cnn(c1-c1ccncc1)-c1ccccc1F
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| InChI |
InChI=1S/C23H16FN5O3S/c1-33(30,31)17-6-4-5-16(13-17)22-27-23(32-28-22)18-14-26-29(20-8-3-2-7-19(20)24)21(18)15-9-11-25-12-10-15/h2-14H,1H3
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| InChIKey |
WYODPEMLQFJGFQ-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