General Information of the Compound
| Compound ID |
CP0300059
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| Compound Name |
US9090625, 5
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| Structure |
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| Formula |
C19H16N4S
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| Molecular Weight |
332.432
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| Canonical SMILES |
Cc1cccc(n1)-n1nc2CCCc2c1-c1cc2cnccc2s1
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| InChI |
InChI=1S/C19H16N4S/c1-12-4-2-7-18(21-12)23-19(14-5-3-6-15(14)22-23)17-10-13-11-20-9-8-16(13)24-17/h2,4,7-11H,3,5-6H2,1H3
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| InChIKey |
JQKNNVYRFRWQST-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