General Information of the Compound
| Compound ID |
CP0549590
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| Compound Name |
[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C21H26N6O3
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| Molecular Weight |
410.478
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| Canonical SMILES |
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
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| InChI |
InChI=1S/C21H26N6O3/c1-4-30-19-15-7-8-22-18(15)24-21(25-19)23-16-6-5-14(13-17(16)29-3)20(28)27-11-9-26(2)10-12-27/h5-8,13H,4,9-12H2,1-3H3,(H2,22,23,24,25)
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| InChIKey |
OSKFNUPAFGHESE-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