General Information of the Compound
| Compound ID |
CP0512857
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| Compound Name |
1-ethyl-3-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]urea
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| Structure |
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| Formula |
C23H27N5O3
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| Molecular Weight |
421.501
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| Canonical SMILES |
CCNC(=O)Nc1cccc(c1)-c1cc(NCCc2ccc(OC)cc2)nc(OC)n1
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| InChI |
InChI=1S/C23H27N5O3/c1-4-24-22(29)26-18-7-5-6-17(14-18)20-15-21(28-23(27-20)31-3)25-13-12-16-8-10-19(30-2)11-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H2,24,26,29)(H,25,27,28)
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| InChIKey |
VKXVHIWOFDKOPX-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