General Information of the Compound
| Compound ID |
CP0548067
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| Compound Name |
1-[4-[2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-(piperidin-1-ylmethyl)phenyl]urea
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| Structure |
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| Formula |
C33H33ClN6O2
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| Molecular Weight |
581.12
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| Canonical SMILES |
Clc1c(oc2ncnc(NCCc3ccc(NC(=O)Nc4ccc(CN5CCCCC5)cc4)cc3)c12)-c1ccccc1
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| InChI |
InChI=1S/C33H33ClN6O2/c34-29-28-31(36-22-37-32(28)42-30(29)25-7-3-1-4-8-25)35-18-17-23-9-13-26(14-10-23)38-33(41)39-27-15-11-24(12-16-27)21-40-19-5-2-6-20-40/h1,3-4,7-16,22H,2,5-6,17-21H2,(H,35,36,37)(H2,38,39,41)
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| InChIKey |
PNJRNTPHIQUHQO-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