General Information of the Compound
| Compound ID |
CP0141818
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| Compound Name |
[3-(difluoromethoxy)-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 |
C21H24F2N6O3
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| Molecular Weight |
446.458
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| Canonical SMILES |
CCOc1nc(Nc2ccc(cc2OC(F)F)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
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| InChI |
InChI=1S/C21H24F2N6O3/c1-3-31-18-14-6-7-24-17(14)26-21(27-18)25-15-5-4-13(12-16(15)32-20(22)23)19(30)29-10-8-28(2)9-11-29/h4-7,12,20H,3,8-11H2,1-2H3,(H2,24,25,26,27)
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| InChIKey |
HOJVIDJOKDJWHI-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