General Information of the Compound
| Compound ID |
CP0364888
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| Compound Name |
US9505765, 93
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| Structure |
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| Formula |
C16H12N4O
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| Molecular Weight |
276.299
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| Canonical SMILES |
N#C\C=C\c1c[nH]c2ncnc(OCc3ccccc3)c12
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| InChI |
InChI=1S/C16H12N4O/c17-8-4-7-13-9-18-15-14(13)16(20-11-19-15)21-10-12-5-2-1-3-6-12/h1-7,9,11H,10H2,(H,18,19,20)/b7-4+
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| InChIKey |
WPLBZSRCAZTCEF-QPJJXVBHSA-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