General Information of the Compound
| Compound ID |
CP0164979
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| Compound Name |
1-[4-(4-amino-7-prop-2-enylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
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| Structure |
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| Formula |
C23H25N7O2
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| Molecular Weight |
431.5
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn(CC=C)c3ncnc(N)c23)no1
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| InChI |
InChI=1S/C23H25N7O2/c1-5-10-30-12-16(19-20(24)25-13-26-21(19)30)14-6-8-15(9-7-14)27-22(31)28-18-11-17(32-29-18)23(2,3)4/h5-9,11-13H,1,10H2,2-4H3,(H2,24,25,26)(H2,27,28,29,31)
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| InChIKey |
XIMGYPHSYIMHAW-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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Table of Molecular Bioactivities Related to the Compound