General Information of the Compound
| Compound ID |
CP0390250
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| Compound Name |
US8653100, 12
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| Structure |
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| Formula |
C22H26ClFN2O3S
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| Molecular Weight |
452.979
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| Canonical SMILES |
CS(=O)(=O)NCCOc1cc2C(NCCc2cc1F)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H26ClFN2O3S/c1-30(27,28)26-11-12-29-20-14-18-15(13-19(20)24)7-10-25-21(18)22(8-2-9-22)16-3-5-17(23)6-4-16/h3-6,13-14,21,25-26H,2,7-12H2,1H3
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| InChIKey |
VTQZTQGNJKTERC-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