General Information of the Compound
| Compound ID |
CP0503632
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| Compound Name |
US8912224, 212
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| Structure |
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| Formula |
C21H17N3O4S2
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| Molecular Weight |
439.518
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| Canonical SMILES |
O=C(NCc1ccno1)c1cnc(Oc2ccc3OC(CCc3c2)c2ccsc2)s1
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| InChI |
InChI=1S/C21H17N3O4S2/c25-20(22-10-16-5-7-24-28-16)19-11-23-21(30-19)26-15-2-4-17-13(9-15)1-3-18(27-17)14-6-8-29-12-14/h2,4-9,11-12,18H,1,3,10H2,(H,22,25)
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| InChIKey |
ITJGKCZIPULLGA-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