General Information of the Compound
| Compound ID |
CP0265979
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| Compound Name |
US9073922, 119
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| Structure |
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| Formula |
C20H20FN3O3S
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| Molecular Weight |
401.463
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| Canonical SMILES |
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H20FN3O3S/c1-27-19-4-3-14(21)11-16(19)15-5-8-22-20-17(15)12-18(23-20)13-6-9-24(10-7-13)28(2,25)26/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,22,23)
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| InChIKey |
SRPJBGDXQQBRRD-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