General Information of the Compound
| Compound ID |
CP0442042
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| Compound Name |
US8987445, 89
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| Structure |
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| Formula |
C30H23FN2O4S
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| Molecular Weight |
526.589
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc(cc1)-c1cccc(F)c1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C30H23FN2O4S/c1-20-28-8-3-2-5-25(28)18-32-29(20)33(38(36,37)27-15-13-23(14-16-27)30(34)35)19-21-9-11-22(12-10-21)24-6-4-7-26(31)17-24/h2-18H,19H2,1H3,(H,34,35)
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| InChIKey |
GPTIJXHSMJEHAB-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