General Information of the Compound
| Compound ID |
CP0247411
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| Compound Name |
tert-butyl (3R)-3-methyl-4-[5-[(4-methylsulfonylphenyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C22H30N4O5S
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| Molecular Weight |
462.572
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C22H30N4O5S/c1-16-14-25(21(27)31-22(2,3)4)10-11-26(16)20-23-12-18(13-24-20)30-15-17-6-8-19(9-7-17)32(5,28)29/h6-9,12-13,16H,10-11,14-15H2,1-5H3/t16-/m1/s1
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| InChIKey |
LMLPLWPZYOTASZ-MRXNPFEDSA-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
Protein ID: PT02455, Glucose-dependent insulinotropic receptor
Protein ID: PT02398, Glucose-dependent insulinotropic receptor