General Information of the Compound
| Compound ID |
CP0515134
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| Compound Name |
US8987445, 10
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| Structure |
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| Formula |
C28H22F3N2NaO5S
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| Molecular Weight |
578.544
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| Canonical SMILES |
Cc1c(nc(C2CC2)c2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
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| InChI |
InChI=1S/C28H23F3N2O5S.Na/c1-17-23-4-2-3-5-24(23)25(19-8-9-19)32-26(17)33(16-18-6-12-21(13-7-18)38-28(29,30)31)39(36,37)22-14-10-20(11-15-22)27(34)35;/h2-7,10-15,19H,8-9,16H2,1H3,(H,34,35);/q;+1/p-1
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| InChIKey |
YIUHPQDQDWZJIV-UHFFFAOYSA-M
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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