General Information of the Compound
| Compound ID |
CP0407393
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| Compound Name |
US9233953, 131
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| Structure |
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| Formula |
C22H25F3N2O4S2
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| Molecular Weight |
502.58
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| Canonical SMILES |
COc1ccc(cc1C(F)(F)F)N1CCN(C(C1)c1cccs1)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C22H25F3N2O4S2/c1-31-19-5-4-16(13-17(19)22(23,24)25)26-8-9-27(18(14-26)20-3-2-10-32-20)21(28)15-6-11-33(29,30)12-7-15/h2-5,10,13,15,18H,6-9,11-12,14H2,1H3
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| InChIKey |
MXPYJOCIMIZDOJ-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