General Information of the Compound
| Compound ID |
CP0516275
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| Compound Name |
US9163015, 27
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| Structure |
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| Formula |
C20H13ClN8O
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| Molecular Weight |
416.832
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| Canonical SMILES |
Clc1cc(ccc1Oc1ncccn1)N(c1n[nH]c2cccnc12)c1ncccn1
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| InChI |
InChI=1S/C20H13ClN8O/c21-14-12-13(5-6-16(14)30-20-25-10-3-11-26-20)29(19-23-8-2-9-24-19)18-17-15(27-28-18)4-1-7-22-17/h1-12H,(H,27,28)
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| InChIKey |
ALFNOINJYBDOSD-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