General Information of the Compound
| Compound ID |
CP0442932
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| Compound Name |
US8987445, 125
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| Structure |
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| Formula |
C27H25F3N2O4S
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| Molecular Weight |
530.568
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)O
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| InChI |
InChI=1S/C27H25F3N2O4S/c1-18-24-7-5-4-6-20(24)16-31-25(18)32(17-19-8-12-22(13-9-19)36-27(28,29)30)37(34,35)23-14-10-21(11-15-23)26(2,3)33/h4-16,33H,17H2,1-3H3
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| InChIKey |
WKLFLFRSNBDHFO-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