General Information of the Compound
| Compound ID |
CP0417222
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| Compound Name |
US9518064, Example 93
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| Structure |
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| Formula |
C26H23N3O5S
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| Molecular Weight |
489.553
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)C3=CCOCC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C26H23N3O5S/c1-30-19-11-22(33-15-16-4-3-5-18(10-16)17-6-8-32-9-7-17)20-13-24(34-23(20)12-19)21-14-29-25(27-21)35-26(28-29)31-2/h3-6,10-14H,7-9,15H2,1-2H3
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| InChIKey |
SRNIWQIVVVDOLO-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