General Information of the Compound
| Compound ID |
CP0253748
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| Compound Name |
2,4-Bisanilinopyrimidine, 14
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| Structure |
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| Formula |
C20H18FN5O2
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| Molecular Weight |
379.395
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| Canonical SMILES |
Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)NC3CC3)n2)cc1
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| InChI |
InChI=1S/C20H18FN5O2/c21-17-11-22-20(25-15-7-9-16(27)10-8-15)26-18(17)23-13-3-1-12(2-4-13)19(28)24-14-5-6-14/h1-4,7-11,14,27H,5-6H2,(H,24,28)(H2,22,23,25,26)
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| InChIKey |
MOVLGZOUINJGGA-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
Protein ID: PT00980, Aurora kinase A
Protein ID: PT01223, Aurora kinase B