General Information of the Compound
| Compound ID |
CP0861731
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| Compound Name |
US9233953, 147
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| Structure |
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| Formula |
C24H25F3N4O3S
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| Molecular Weight |
506.55
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| Canonical SMILES |
O=C(C1CCS(=O)(=O)CC1)N1CCN(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1c1ccccc1
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| InChI |
InChI=1S/C24H25F3N4O3S/c25-24(26,27)18-6-7-19-20(14-18)29-23(28-19)30-10-11-31(21(15-30)16-4-2-1-3-5-16)22(32)17-8-12-35(33,34)13-9-17/h1-7,14,17,21H,8-13,15H2,(H,28,29)
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| InChIKey |
RWLJLOFHISKLNY-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