General Information of the Compound
| Compound ID |
CP0552811
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| Compound Name |
1-[4-[2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[(dimethylamino)methyl]phenyl]urea
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| Structure |
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| Formula |
C30H29ClN6O2
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| Molecular Weight |
541.055
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| Canonical SMILES |
CN(C)Cc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C30H29ClN6O2/c1-37(2)18-21-10-14-24(15-11-21)36-30(38)35-23-12-8-20(9-13-23)16-17-32-28-25-26(31)27(22-6-4-3-5-7-22)39-29(25)34-19-33-28/h3-15,19H,16-18H2,1-2H3,(H,32,33,34)(H2,35,36,38)
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| InChIKey |
NQLBAFDUCAUTMR-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