General Information of the Compound
| Compound ID |
CP0231916
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| Compound Name |
(S)-N-(3-bromo-4-fluorophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C19H20BrFN6O
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| Molecular Weight |
447.312
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| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12
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| InChI |
InChI=1S/C19H20BrFN6O/c1-11-8-22-17-16(11)18(24-10-23-17)26-5-6-27(12(2)9-26)19(28)25-13-3-4-15(21)14(20)7-13/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,25,28)(H,22,23,24)/t12-/m0/s1
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| InChIKey |
JQXGSDPBFXEDBN-LBPRGKRZSA-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