General Information of the Compound
| Compound ID |
CP0012486
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| Compound Name |
5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-7-yl)-N-(6-m ethyl-5-(piperazin-1-ylmethyl)pyridin-2-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 |
Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1CN1CCNCC1
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| InChI |
InChI=1S/C27H30F2N8/c1-16-17(15-36-10-8-30-9-11-36)4-5-22(32-16)33-26-31-14-20(29)24(35-26)18-12-19(28)25-21(13-18)37-23(34-25)6-7-27(37,2)3/h4-5,12-14,30H,6-11,15H2,1-3H3,(H,31,32,33,35)
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| InChIKey |
XBOIHCUWWMWMIZ-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