General Information of the Compound
| Compound ID |
CP0528526
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| Compound Name |
1-[4-(dimethylamino)phenyl]-3-(2-methylphenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]urea
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| Structure |
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| Formula |
C28H30N6O
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| Molecular Weight |
466.589
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| Canonical SMILES |
C[C@H](Nc1nccc(n1)N(C(=O)Nc1ccccc1C)c1ccc(cc1)N(C)C)c1ccccc1
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| InChI |
InChI=1S/C28H30N6O/c1-20-10-8-9-13-25(20)31-28(35)34(24-16-14-23(15-17-24)33(3)4)26-18-19-29-27(32-26)30-21(2)22-11-6-5-7-12-22/h5-19,21H,1-4H3,(H,31,35)(H,29,30,32)/t21-/m0/s1
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| InChIKey |
JEEUYOFAAMGLCC-NRFANRHFSA-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