General Information of the Compound
| Compound ID |
CP0473310
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| Compound Name |
1-ethyl-3-[4-[5-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]urea
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| Structure |
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| Formula |
C21H26N6O2
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| Molecular Weight |
394.479
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)ccc2n1
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| InChI |
InChI=1S/C21H26N6O2/c1-4-22-21(28)23-16-7-5-15(6-8-16)19-24-17-9-10-26(3)18(17)20(25-19)27-11-12-29-13-14(27)2/h5-10,14H,4,11-13H2,1-3H3,(H2,22,23,28)/t14-/m0/s1
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| InChIKey |
JMWDTMSHFAJXAF-AWEZNQCLSA-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