General Information of the Compound
| Compound ID |
CP0517888
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| Compound Name |
US9169240, 73
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| Structure |
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| Formula |
C23H17N5O2S
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| Molecular Weight |
427.489
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| Canonical SMILES |
O=C(c1nnc(NCCc2ccncc2)o1)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C23H17N5O2S/c29-20(21-27-28-23(30-21)25-13-10-15-8-11-24-12-9-15)22-26-18-7-6-17(14-19(18)31-22)16-4-2-1-3-5-16/h1-9,11-12,14H,10,13H2,(H,25,28)
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| InChIKey |
XUKWIIFDGKRAFB-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