General Information of the Compound
| Compound ID |
CP0382090
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| Compound Name |
1-benzyl-3-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)urea
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| Structure |
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| Formula |
C26H26N6O2
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| Molecular Weight |
454.534
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| Canonical SMILES |
Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)NCc2ccccc2)cc1
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| InChI |
InChI=1S/C26H26N6O2/c27-24-23(22(31-25(28)32-24)17-34-16-19-9-5-2-6-10-19)20-11-13-21(14-12-20)30-26(33)29-15-18-7-3-1-4-8-18/h1-14H,15-17H2,(H2,29,30,33)(H4,27,28,31,32)
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| InChIKey |
CRWVLECQBDATTM-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