General Information of the Compound
| Compound ID |
CP0016201
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| Compound Name |
3-(4-fluorophenyl)-2-pyridin-4-yl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene
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| Structure |
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| Formula |
C16H12FN3S
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| Molecular Weight |
297.358
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| Canonical SMILES |
Fc1ccc(cc1)-c1nc2SCCn2c1-c1ccncc1
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| InChI |
InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2
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| InChIKey |
YOELZIQOLWZLQC-UHFFFAOYSA-N
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| CAS |
72873-74-6
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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