General Information of the Compound
| Compound ID |
CP0243640
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| Compound Name |
US9340555, 80
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| Structure |
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| Formula |
C22H18N2O6S
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| Molecular Weight |
438.461
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| Canonical SMILES |
Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(sc23)C(=O)OCCO)c1
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| InChI |
InChI=1S/C22H18N2O6S/c1-13-6-9-28-19(13)21(26)24-14-3-2-4-15(11-14)30-17-5-7-23-16-12-18(31-20(16)17)22(27)29-10-8-25/h2-7,9,11-12,25H,8,10H2,1H3,(H,24,26)
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| InChIKey |
MZJNSSBBQVBDAI-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