General Information of the Compound
| Compound ID |
CP0006215
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| Compound Name |
4-(1-ethyl-5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoropyrimidin-2-amine
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| Structure |
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| Formula |
C28H32F2N8
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| Molecular Weight |
518.616
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| Canonical SMILES |
CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F
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| InChI |
InChI=1S/C28H32F2N8/c1-3-20-6-8-25-34-27-21(29)13-19(14-23(27)38(20)25)26-22(30)16-32-28(35-26)33-24-7-5-18(15-31-24)17-37-11-9-36(4-2)10-12-37/h5,7,13-16,20H,3-4,6,8-12,17H2,1-2H3,(H,31,32,33,35)
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| InChIKey |
DSSKUVUQTGKPGW-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