General Information of the Compound
| Compound ID |
CP0561551
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| Compound Name |
US9340555, 79
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| Structure |
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| Formula |
C23H20N2O6S
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| Molecular Weight |
452.488
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| Canonical SMILES |
Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(sc23)C(=O)OCCCO)c1
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| InChI |
InChI=1S/C23H20N2O6S/c1-14-7-11-29-20(14)22(27)25-15-4-2-5-16(12-15)31-18-6-8-24-17-13-19(32-21(17)18)23(28)30-10-3-9-26/h2,4-8,11-13,26H,3,9-10H2,1H3,(H,25,27)
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| InChIKey |
GQJQBSYNAYJCMF-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