General Information of the Compound
| Compound ID |
CP0133052
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| Compound Name |
4-ethyl-6-[5-[1-(2-methylpropyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C20H23N7
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| Molecular Weight |
361.453
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| Canonical SMILES |
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CC(C)C)c1
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| InChI |
InChI=1S/C20H23N7/c1-4-15-6-18(26-20(21)25-15)17-9-23-19-16(17)5-13(7-22-19)14-8-24-27(11-14)10-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,22,23)(H2,21,25,26)
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| InChIKey |
UCPCTKLUCPTSCC-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