General Information of the Compound
| Compound ID |
CP0403696
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| Compound Name |
US9862730, Example 244
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| Structure |
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| Formula |
C14H8ClF2N3OS
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| Molecular Weight |
339.754
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| Canonical SMILES |
Cc1ccc2cc(oc2c1)-c1cn2nc(sc2n1)C(F)(F)Cl
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| InChI |
InChI=1S/C14H8ClF2N3OS/c1-7-2-3-8-5-11(21-10(8)4-7)9-6-20-13(18-9)22-12(19-20)14(15,16)17/h2-6H,1H3
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| InChIKey |
ARJOSFSYNMJURR-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