General Information of the Compound
| Compound ID |
CP0531678
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| Compound Name |
1-[4-[2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-methylpropyl)phenyl]urea
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| Structure |
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| Formula |
C31H30ClN5O2
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| Molecular Weight |
540.067
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| Canonical SMILES |
CC(C)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1
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| InChI |
InChI=1S/C31H30ClN5O2/c1-20(2)17-22-7-6-10-25(18-22)37-31(38)36-24-13-11-21(12-14-24)15-16-33-29-26-27(32)28(23-8-4-3-5-9-23)39-30(26)35-19-34-29/h3-14,18-20H,15-17H2,1-2H3,(H,33,34,35)(H2,36,37,38)
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| InChIKey |
GGEVKWSGNLDNJK-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