General Information of the Compound
Compound ID |
CP0137007
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Compound Name |
US9090625, 1
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Structure |
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Formula |
C16H12N4S
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Molecular Weight |
292.367
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Canonical SMILES |
Cc1cccc(n1)-n1nccc1-c1cc2cnccc2s1
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InChI |
InChI=1S/C16H12N4S/c1-11-3-2-4-16(19-11)20-13(5-8-18-20)15-9-12-10-17-7-6-14(12)21-15/h2-10H,1H3
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InChIKey |
NTOWMPDTXYCCPD-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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