General Information of the Compound
| Compound ID |
CP0416345
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| Compound Name |
US10047103, 47
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| Structure |
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| Formula |
C28H22F3N5O5S2
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| Molecular Weight |
629.642
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)-c3ccc(cc3)C(=O)NCC(F)(F)F)cc(OC)cc2o1
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| InChI |
InChI=1S/C28H22F3N5O5S2/c1-14-20(33-25(42-14)16-6-4-15(5-7-16)24(37)32-13-28(29,30)31)12-40-21-8-17(38-2)9-22-18(21)10-23(41-22)19-11-36-26(34-19)43-27(35-36)39-3/h4-11H,12-13H2,1-3H3,(H,32,37)
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| InChIKey |
BPKFYXPNQKOHIL-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