General Information of the Compound
| Compound ID |
CP0538236
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| Compound Name |
Butyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-amine
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| Structure |
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| Formula |
C22H30N4
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| Molecular Weight |
350.51
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| Canonical SMILES |
CCCCNc1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C
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| InChI |
InChI=1S/C22H30N4/c1-8-9-10-23-21-19-16(5)17(6)26(22(19)25-18(7)24-21)20-14(3)11-13(2)12-15(20)4/h11-12H,8-10H2,1-7H3,(H,23,24,25)
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| InChIKey |
YSRDKCMEEQUANM-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