General Information of the Compound
| Compound ID |
CP0129192
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| Compound Name |
US9233968, 8
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| Structure |
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| Formula |
C21H15N5O
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| Molecular Weight |
353.385
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1ccc(cc1)C#Cc1ccc2nccn2n1
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| InChI |
InChI=1S/C21H15N5O/c27-21(23-17-4-2-1-3-5-17)24-18-9-6-16(7-10-18)8-11-19-12-13-20-22-14-15-26(20)25-19/h1-7,9-10,12-15H,(H2,23,24,27)
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| InChIKey |
LPGJBMXKZTXNOS-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