General Information of the Compound
| Compound ID |
CP0547231
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| Compound Name |
US9862730, Example 253
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| Structure |
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| Formula |
C27H21N3O3S2
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| Molecular Weight |
499.617
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| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1
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| InChI |
InChI=1S/C27H21N3O3S2/c1-34-27-29-30-15-22(28-26(30)35-27)25-14-21-23(32-17-19-10-6-3-7-11-19)12-20(13-24(21)33-25)31-16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3
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| InChIKey |
IMJOTXKCPUSLIZ-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