General Information of the Compound
| Compound ID |
CP0219174
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| Compound Name |
[3-(dimethylamino)-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 |
C22H29N7O2
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| Molecular Weight |
423.521
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| Canonical SMILES |
CCOc1nc(Nc2ccc(cc2N(C)C)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
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| InChI |
InChI=1S/C22H29N7O2/c1-5-31-20-16-8-9-23-19(16)25-22(26-20)24-17-7-6-15(14-18(17)27(2)3)21(30)29-12-10-28(4)11-13-29/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,25,26)
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| InChIKey |
FUPNDDSDFGRVJX-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