General Information of the Compound
| Compound ID |
CP0574077
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| Compound Name |
US9278960, 1-29
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| Structure |
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| Formula |
C18H13N3O
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| Molecular Weight |
287.322
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| Canonical SMILES |
Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C18H13N3O/c1-11-2-7-14-15(13-5-3-12(10-19)4-6-13)9-17(18(20)22)21-16(14)8-11/h2-9H,1H3,(H2,20,22)
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| InChIKey |
IMOCYWWBJAGOSH-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