General Information of the Compound
| Compound ID |
CP0132717
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| Compound Name |
US9233968, 25
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| Structure |
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| Formula |
C23H14N4O2
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| Molecular Weight |
378.391
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| Canonical SMILES |
O=C(Nc1cccc(c1)C#Cc1ccc2nccn2n1)c1cc2ccccc2o1
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| InChI |
InChI=1S/C23H14N4O2/c28-23(21-15-17-5-1-2-7-20(17)29-21)25-19-6-3-4-16(14-19)8-9-18-10-11-22-24-12-13-27(22)26-18/h1-7,10-15H,(H,25,28)
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| InChIKey |
GXCSUVBPKJBUPR-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