General Information of the Compound
| Compound ID |
CP0458523
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| Compound Name |
US10058534, 73
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| Structure |
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| Formula |
C26H20N2O3S
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| Molecular Weight |
440.524
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| Canonical SMILES |
Cn1cnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccc(O)cc3)cc2)c1
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| InChI |
InChI=1S/C26H20N2O3S/c1-28-15-19(27-16-28)7-2-17-3-11-22(12-4-17)31-25-23-13-10-21(30)14-24(23)32-26(25)18-5-8-20(29)9-6-18/h2-16,29-30H,1H3/b7-2+
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| InChIKey |
OMONOTSITRLKKC-FARCUNLSSA-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