General Information of the Compound
| Compound ID |
CP0488789
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| Compound Name |
US8987445, 215
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| Structure |
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| Formula |
C29H25F3N2O5S
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| Molecular Weight |
570.589
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| Canonical SMILES |
Cc1cccc2c(C)c(nc(C3CC3)c12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C29H25F3N2O5S/c1-17-4-3-5-24-18(2)27(33-26(25(17)24)20-8-9-20)34(16-19-6-12-22(13-7-19)39-29(30,31)32)40(37,38)23-14-10-21(11-15-23)28(35)36/h3-7,10-15,20H,8-9,16H2,1-2H3,(H,35,36)
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| InChIKey |
VTYTXQICLINQDI-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