General Information of the Compound
| Compound ID |
CP0564434
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| Compound Name |
US9974785, Example 16
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| Structure |
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| Formula |
C20H21F2N3O3S
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| Molecular Weight |
421.469
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)n1cc(C(F)F)c2cc(ccc12)N1CCNCC1
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| InChI |
InChI=1S/C20H21F2N3O3S/c1-28-15-3-5-16(6-4-15)29(26,27)25-13-18(20(21)22)17-12-14(2-7-19(17)25)24-10-8-23-9-11-24/h2-7,12-13,20,23H,8-11H2,1H3
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| InChIKey |
AUZYOKQFZXTNGJ-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