General Information of the Compound
| Compound ID |
CP0411373
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| Compound Name |
1-benzyl-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea
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| Structure |
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| Formula |
C34H29N5O2
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| Molecular Weight |
539.639
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| Canonical SMILES |
O=C(NCc1ccccc1)Nc1ccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1
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| InChI |
InChI=1S/C34H29N5O2/c40-34(36-22-25-10-4-1-5-11-25)39-28-18-16-24(17-19-28)20-21-35-32-30-29(26-12-6-2-7-13-26)31(27-14-8-3-9-15-27)41-33(30)38-23-37-32/h1-19,23H,20-22H2,(H,35,37,38)(H2,36,39,40)
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| InChIKey |
WQFYTOGUHIWPDZ-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