General Information of the Compound
| Compound ID |
CP0531400
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| Compound Name |
MLS000065400
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| Structure |
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| Formula |
C19H13N3O2
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| Molecular Weight |
315.332
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| Canonical SMILES |
O=C(Nc1ccon1)c1cc(nc2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C19H13N3O2/c23-19(21-18-10-11-24-22-18)15-12-17(13-6-2-1-3-7-13)20-16-9-5-4-8-14(15)16/h1-12H,(H,21,22,23)
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| InChIKey |
CDDDIKSIXQVQAT-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