General Information of the Compound
| Compound ID |
CP0506839
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| Compound Name |
US9233953, 48
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| Structure |
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| Formula |
C20H22F2N4O3S
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| Molecular Weight |
436.484
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| Canonical SMILES |
Fc1cnc(nc1)N1CCN(C(C1)c1ccccc1F)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C20H22F2N4O3S/c21-15-11-23-20(24-12-15)25-7-8-26(18(13-25)16-3-1-2-4-17(16)22)19(27)14-5-9-30(28,29)10-6-14/h1-4,11-12,14,18H,5-10,13H2
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| InChIKey |
DFEDQIHXGCQVOJ-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