General Information of the Compound
| Compound ID |
CP0482157
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| Compound Name |
1-[4-[2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]urea
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| Structure |
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| Formula |
C33H33ClN6O3
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| Molecular Weight |
597.119
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| Canonical SMILES |
OC1CCN(Cc2cccc(NC(=O)Nc3ccc(CCNc4ncnc5oc(c(Cl)c45)-c4ccccc4)cc3)c2)CC1
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| InChI |
InChI=1S/C33H33ClN6O3/c34-29-28-31(36-21-37-32(28)43-30(29)24-6-2-1-3-7-24)35-16-13-22-9-11-25(12-10-22)38-33(42)39-26-8-4-5-23(19-26)20-40-17-14-27(41)15-18-40/h1-12,19,21,27,41H,13-18,20H2,(H,35,36,37)(H2,38,39,42)
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| InChIKey |
FOANSKGMQAGOIR-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