General Information of the Compound
| Compound ID |
CP0507460
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| Compound Name |
[3-ethoxy-4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C22H28N6O3
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| Molecular Weight |
424.505
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| Canonical SMILES |
CCOc1cc(ccc1Nc1nc(OCC)c2cc[nH]c2n1)C(=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C22H28N6O3/c1-4-30-18-14-15(21(29)28-12-10-27(3)11-13-28)6-7-17(18)24-22-25-19-16(8-9-23-19)20(26-22)31-5-2/h6-9,14H,4-5,10-13H2,1-3H3,(H2,23,24,25,26)
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| InChIKey |
RXEIMTCOCBLPMN-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