General Information of the Compound
| Compound ID |
CP0557948
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| Compound Name |
US10561662, Example 75
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| Structure |
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| Formula |
C17H15ClN4O2
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| Molecular Weight |
342.786
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| Canonical SMILES |
Clc1cccc(CCNC(=O)Cn2nnc3ccccc3c2=O)c1
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| InChI |
InChI=1S/C17H15ClN4O2/c18-13-5-3-4-12(10-13)8-9-19-16(23)11-22-17(24)14-6-1-2-7-15(14)20-21-22/h1-7,10H,8-9,11H2,(H,19,23)
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| InChIKey |
CPFFDGFFVKSWCC-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