General Information of the Compound
| Compound ID |
CP0548103
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| Compound Name |
US9428456, 3.008
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| Structure |
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| Formula |
C22H28FN3O2S
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| Molecular Weight |
417.55
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2csc(NC(=O)c3ccc(F)cc3)c2)CC1
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| InChI |
InChI=1S/C22H28FN3O2S/c1-22(2,3)25-21(28)17-8-10-26(11-9-17)13-15-12-19(29-14-15)24-20(27)16-4-6-18(23)7-5-16/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,24,27)(H,25,28)
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| InChIKey |
MTMYLZWFGVNYOT-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