General Information of the Compound
| Compound ID |
CP0577840
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| Compound Name |
US8987445, 99
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| Structure |
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| Formula |
C29H26F3N3O5S
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| Molecular Weight |
585.604
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| Canonical SMILES |
Cc1c(nc(N2CCCC2)c2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C29H26F3N3O5S/c1-19-24-6-2-3-7-25(24)27(34-16-4-5-17-34)33-26(19)35(18-20-8-12-22(13-9-20)40-29(30,31)32)41(38,39)23-14-10-21(11-15-23)28(36)37/h2-3,6-15H,4-5,16-18H2,1H3,(H,36,37)
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| InChIKey |
MXLHREANOHEVKS-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