General Information of the Compound
| Compound ID |
CP0024021
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| Compound Name |
2,4-Bisanilinopyrimidine, 13
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| Structure |
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| Formula |
C23H17ClFN5O2
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| Molecular Weight |
449.873
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| Canonical SMILES |
Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
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| InChI |
InChI=1S/C23H17ClFN5O2/c24-18-3-1-2-4-20(18)29-22(32)14-5-7-15(8-6-14)27-21-19(25)13-26-23(30-21)28-16-9-11-17(31)12-10-16/h1-13,31H,(H,29,32)(H2,26,27,28,30)
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| InChIKey |
CLOQRRBPZHLSQE-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