General Information of the Compound
| Compound ID |
CP0838495
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| Compound Name |
(R)-(4-((4-Ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(3-methylmorpholino)methanone
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| Structure |
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| Formula |
C21H25N5O4
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| Molecular Weight |
411.462
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| Canonical SMILES |
CCOc1nc(Nc2ccc(C(=O)N3CCOC[C@H]3C)cc2OC)nc2[nH]ccc12
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| InChI |
InChI=1S/C21H25N5O4/c1-4-30-19-15-7-8-22-18(15)24-21(25-19)23-16-6-5-14(11-17(16)28-3)20(27)26-9-10-29-12-13(26)2/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,22,23,24,25)/t13-/m1/s1
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| InChIKey |
LMFRLKQMMLEFRK-CYBMUJFWSA-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