General Information of the Compound
| Compound ID |
CP0556475
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| Compound Name |
US8987473, 109
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| Structure |
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| Formula |
C18H14ClN3O2
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| Molecular Weight |
339.782
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| Canonical SMILES |
Cc1nn(Cc2c(Cl)cccc2C#N)c2cc(CC(O)=O)ccc12
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| InChI |
InChI=1S/C18H14ClN3O2/c1-11-14-6-5-12(8-18(23)24)7-17(14)22(21-11)10-15-13(9-20)3-2-4-16(15)19/h2-7H,8,10H2,1H3,(H,23,24)
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| InChIKey |
HZHULGSQZAOFMV-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