General Information of the Compound
| Compound ID |
CP0520323
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| Compound Name |
US8912224, 309
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| Structure |
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| Formula |
C21H17N5O4S
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| Molecular Weight |
435.465
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| Canonical SMILES |
O=C(NCc1ccno1)c1cnc(Oc2ccc3OC(CCc3c2)c2cnccn2)s1
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| InChI |
InChI=1S/C21H17N5O4S/c27-20(24-10-15-5-6-26-30-15)19-12-25-21(31-19)28-14-2-4-17-13(9-14)1-3-18(29-17)16-11-22-7-8-23-16/h2,4-9,11-12,18H,1,3,10H2,(H,24,27)
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| InChIKey |
OGLLLJYRJHLVRS-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