General Information of the Compound
| Compound ID |
CP0567319
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| Compound Name |
US9974785, Example 7
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| Structure |
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| Formula |
C20H21F2N3O2S
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| Molecular Weight |
405.47
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)n1cc(C(F)F)c2c(cccc12)N1CCNCC1
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| InChI |
InChI=1S/C20H21F2N3O2S/c1-14-5-7-15(8-6-14)28(26,27)25-13-16(20(21)22)19-17(3-2-4-18(19)25)24-11-9-23-10-12-24/h2-8,13,20,23H,9-12H2,1H3
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| InChIKey |
KEKUZOBQCLSBKE-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