General Information of the Compound
| Compound ID |
CP0474466
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| Compound Name |
US8912224, 7
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| Structure |
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| Formula |
C25H23N3O3S2
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| Molecular Weight |
477.611
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| Canonical SMILES |
Cc1ncsc1CCNC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C25H23N3O3S2/c1-16-22(32-15-28-16)11-12-26-24(29)23-14-27-25(33-23)30-19-8-10-21-18(13-19)7-9-20(31-21)17-5-3-2-4-6-17/h2-6,8,10,13-15,20H,7,9,11-12H2,1H3,(H,26,29)
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| InChIKey |
DWQXHTGAKWJBLM-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