General Information of the Compound
| Compound ID |
CP0471996
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| Compound Name |
US10383880, Example 237
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| Structure |
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| Formula |
C21H21FN2O4S
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| Molecular Weight |
416.474
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| Canonical SMILES |
CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccc(F)cc12)Cc1ccco1
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| InChI |
InChI=1S/C21H21FN2O4S/c1-29(26,27)23(14-17-5-4-10-28-17)12-16(25)13-24-20-7-3-2-6-18(20)19-9-8-15(22)11-21(19)24/h2-11,16,25H,12-14H2,1H3
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| InChIKey |
BPXYZDDEDSSAJT-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