General Information of the Compound
| Compound ID |
CP0531267
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| Compound Name |
US9163015, 66
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| Structure |
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| Formula |
C16H11ClN6O
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| Molecular Weight |
338.758
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| Canonical SMILES |
Clc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1cnccn1
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| InChI |
InChI=1S/C16H11ClN6O/c17-11-8-10(3-4-13(11)24-14-9-18-6-7-19-14)21-16-15-12(22-23-16)2-1-5-20-15/h1-9H,(H2,21,22,23)
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| InChIKey |
PAUWBGCEMHIIBI-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