General Information of the Compound
| Compound ID |
CP0341537
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| Compound Name |
tert-butyl (3R,5S)-3,5-dimethyl-4-[5-[(4-methylsulfonylphenyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C23H32N4O5S
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| Molecular Weight |
476.599
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)N1c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C23H32N4O5S/c1-16-13-26(22(28)32-23(3,4)5)14-17(2)27(16)21-24-11-19(12-25-21)31-15-18-7-9-20(10-8-18)33(6,29)30/h7-12,16-17H,13-15H2,1-6H3/t16-,17+
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| InChIKey |
RKLGJSYZCKSOIU-CALCHBBNSA-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