General Information of the Compound
| Compound ID |
CP0533062
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| Compound Name |
2-N-(5-methyl-4-piperidin-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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| Formula |
C30H38N6O3S
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| Molecular Weight |
562.74
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| Canonical SMILES |
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
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| InChI |
InChI=1S/C30H38N6O3S/c1-18(2)39-26-17-23(21-10-13-31-14-11-21)20(5)16-25(26)34-30-35-28-22(12-15-32-28)29(36-30)33-24-8-6-7-9-27(24)40(37,38)19(3)4/h6-9,12,15-19,21,31H,10-11,13-14H2,1-5H3,(H3,32,33,34,35,36)
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| InChIKey |
CTZVCMKQQAGWBA-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