General Information of the Compound
| Compound ID |
CP0561900
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| Compound Name |
US8969586, 52
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| Structure |
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| Formula |
C19H11ClN6O
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| Molecular Weight |
374.791
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| Canonical SMILES |
Clc1ccccc1-c1noc2c(cccc12)-c1cncnc1-n1cncn1
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| InChI |
InChI=1S/C19H11ClN6O/c20-16-7-2-1-4-13(16)17-14-6-3-5-12(18(14)27-25-17)15-8-21-9-23-19(15)26-11-22-10-24-26/h1-11H
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| InChIKey |
XEUOARNXKJGIQG-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