General Information of the Compound
| Compound ID |
CP0455627
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| Compound Name |
1-[4-[2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-(3-methylphenyl)urea
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| Structure |
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| Formula |
C28H24ClN5O2
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| Molecular Weight |
497.986
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1
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| InChI |
InChI=1S/C28H24ClN5O2/c1-18-6-5-9-22(16-18)34-28(35)33-21-12-10-19(11-13-21)14-15-30-26-23-24(29)25(20-7-3-2-4-8-20)36-27(23)32-17-31-26/h2-13,16-17H,14-15H2,1H3,(H,30,31,32)(H2,33,34,35)
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| InChIKey |
HRBFUNRZFJWHLJ-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