General Information of the Compound
| Compound ID |
CP0013850
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| Compound Name |
5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[5-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]pyridin-2-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C28H31F3N8
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| Molecular Weight |
536.606
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| Canonical SMILES |
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CCF)CC3)cn2)ncc1F
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| InChI |
InChI=1S/C28H31F3N8/c1-28(2)6-5-24-35-26-20(30)13-19(14-22(26)39(24)28)25-21(31)16-33-27(36-25)34-23-4-3-18(15-32-23)17-38-11-9-37(8-7-29)10-12-38/h3-4,13-16H,5-12,17H2,1-2H3,(H,32,33,34,36)
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| InChIKey |
PYAFOBDKPDBAIO-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