General Information of the Compound
| Compound ID |
CP0442271
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| Compound Name |
US8987445, 208
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| Structure |
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| Formula |
C28H23F3N2O4S
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| Molecular Weight |
540.563
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| Canonical SMILES |
Cc1cc2ccccc2nc1N(Cc1ccc(F)c(c1)C(F)(F)C1CC1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C28H23F3N2O4S/c1-17-14-20-4-2-3-5-25(20)32-26(17)33(38(36,37)22-11-7-19(8-12-22)27(34)35)16-18-6-13-24(29)23(15-18)28(30,31)21-9-10-21/h2-8,11-15,21H,9-10,16H2,1H3,(H,34,35)
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| InChIKey |
ZTLUDDPOSNHTJG-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