General Information of the Compound
| Compound ID |
CP0544437
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| Compound Name |
US9518064, Example 58
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| Structure |
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| Formula |
C27H23N5O6S
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| Molecular Weight |
545.577
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| Canonical SMILES |
COCOc1cnc(cn1)-c1cccc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)c1
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| InChI |
InChI=1S/C27H23N5O6S/c1-33-15-37-25-12-28-20(11-29-25)17-6-4-5-16(7-17)14-36-22-8-18(34-2)9-23-19(22)10-24(38-23)21-13-32-26(30-21)39-27(31-32)35-3/h4-13H,14-15H2,1-3H3
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| InChIKey |
CIJUDSYPSMOAMT-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