General Information of the Compound
| Compound ID |
CP0397582
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| Compound Name |
US9862730, Example 344
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| Structure |
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| Formula |
C27H20BrN3O4S
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| Molecular Weight |
562.445
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| Canonical SMILES |
COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(oc2c1)-c1cn2nc(Br)sc2n1
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| InChI |
InChI=1S/C27H20BrN3O4S/c1-32-20-11-23(34-16-18-8-5-9-19(10-18)33-15-17-6-3-2-4-7-17)21-13-25(35-24(21)12-20)22-14-31-27(29-22)36-26(28)30-31/h2-14H,15-16H2,1H3
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| InChIKey |
MAMAOHKZNYAETB-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