General Information of the Compound
| Compound ID |
CP0433492
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| Compound Name |
2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-5-methyl-2-propan-2-yloxyphenyl]-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C32H45N5O4S
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| Molecular Weight |
595.81
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| Canonical SMILES |
COCCN1CCC(CC1)c1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
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| InChI |
InChI=1S/C32H45N5O4S/c1-21(2)41-29-19-26(25-12-14-37(15-13-25)16-17-40-7)23(5)18-28(29)35-32-33-20-24(6)31(36-32)34-27-10-8-9-11-30(27)42(38,39)22(3)4/h8-11,18-22,25H,12-17H2,1-7H3,(H2,33,34,35,36)
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| InChIKey |
UYBILPBKQDAXTL-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