General Information of the Compound
| Compound ID |
CP0072229
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| Compound Name |
1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-fluorophenyl]urea
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| Structure |
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| Formula |
C25H26ClFN6O
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| Molecular Weight |
480.975
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| Canonical SMILES |
CN(C)CCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H26ClFN6O/c1-15-16(2)30-24-22(15)23(28-14-29-24)17-5-10-21(20(27)13-17)31-25(34)33(12-11-32(3)4)19-8-6-18(26)7-9-19/h5-10,13-14H,11-12H2,1-4H3,(H,31,34)(H,28,29,30)
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| InChIKey |
QDUKHGDUOWEEHN-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