General Information of the Compound
| Compound ID |
CP0579713
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| Compound Name |
US9974785, Example 6
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| Structure |
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| Formula |
C19H18ClF2N3O2S
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| Molecular Weight |
425.888
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| Canonical SMILES |
FC(F)c1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C19H18ClF2N3O2S/c20-13-3-1-4-14(11-13)28(26,27)25-12-15(19(21)22)18-16(5-2-6-17(18)25)24-9-7-23-8-10-24/h1-6,11-12,19,23H,7-10H2
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| InChIKey |
WPIRCKBPZWEJGK-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