General Information of the Compound
| Compound ID |
CP0013119
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| Compound Name |
N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(5-fluoro-2-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C27H30F2N8
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| Molecular Weight |
504.589
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| Canonical SMILES |
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CC(C)Cn5c4c3)nc2)CC1
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| InChI |
InChI=1S/C27H30F2N8/c1-3-35-6-8-36(9-7-35)16-18-4-5-23(30-13-18)32-27-31-14-21(29)25(34-27)19-11-20(28)26-22(12-19)37-15-17(2)10-24(37)33-26/h4-5,11-14,17H,3,6-10,15-16H2,1-2H3,(H,30,31,32,34)
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| InChIKey |
ZZBUMHLUAAJMOY-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