General Information of the Compound
| Compound ID |
CP0157791
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| Compound Name |
Bisanilinopyrimidine, 9g
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| Structure |
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| Formula |
C18H15ClN4O3
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| Molecular Weight |
370.796
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| Canonical SMILES |
COc1cc(Nc2nccc(Nc3ccccc3Cl)n2)ccc1C(O)=O
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| InChI |
InChI=1S/C18H15ClN4O3/c1-26-15-10-11(6-7-12(15)17(24)25)21-18-20-9-8-16(23-18)22-14-5-3-2-4-13(14)19/h2-10H,1H3,(H,24,25)(H2,20,21,22,23)
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| InChIKey |
XWKGGYUMIFVAAX-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