General Information of the Compound
| Compound ID |
CP0283223
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| Compound Name |
1-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)-3-propan-2-ylurea
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| Structure |
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| Formula |
C22H26N6O2
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| Molecular Weight |
406.49
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| Canonical SMILES |
CC(C)NC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
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| InChI |
InChI=1S/C22H26N6O2/c1-14(2)25-22(29)26-17-10-8-16(9-11-17)19-18(27-21(24)28-20(19)23)13-30-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H2,25,26,29)(H4,23,24,27,28)
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| InChIKey |
WRFODILBPBFVTC-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