General Information of the Compound
| Compound ID |
CP0515525
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| Compound Name |
US9233953, 55
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| Structure |
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| Formula |
C22H26FN3O3S
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| Molecular Weight |
431.533
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| Canonical SMILES |
Cc1ccc(nc1)N1CCN(C(C1)c1ccc(F)cc1)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C22H26FN3O3S/c1-16-2-7-21(24-14-16)25-10-11-26(20(15-25)17-3-5-19(23)6-4-17)22(27)18-8-12-30(28,29)13-9-18/h2-7,14,18,20H,8-13,15H2,1H3
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| InChIKey |
BMAPMYWUZWTTPM-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