General Information of the Compound
| Compound ID |
CP0550975
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| Compound Name |
US8912224, 348
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| Structure |
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| Formula |
C22H21FN2O3S
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| Molecular Weight |
412.486
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| Canonical SMILES |
CN(C)C(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cc(F)ccc2C)s1
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| InChI |
InChI=1S/C22H21FN2O3S/c1-13-4-6-15(23)11-17(13)19-8-5-14-10-16(7-9-18(14)28-19)27-22-24-12-20(29-22)21(26)25(2)3/h4,6-7,9-12,19H,5,8H2,1-3H3
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| InChIKey |
JSLQAVZAEALJHI-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