General Information of the Compound
| Compound ID |
CP0555564
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| Compound Name |
6-methyl-2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C32H42N6O3S
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| Molecular Weight |
590.794
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc(C)[nH]c2n1
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| InChI |
InChI=1S/C32H42N6O3S/c1-19(2)41-28-18-24(23-12-14-38(7)15-13-23)21(5)16-27(28)35-32-36-30-25(17-22(6)33-30)31(37-32)34-26-10-8-9-11-29(26)42(39,40)20(3)4/h8-11,16-20,23H,12-15H2,1-7H3,(H3,33,34,35,36,37)
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| InChIKey |
FAPJXRFDCACRNM-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