General Information of the Compound
| Compound ID |
CP0416188
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| Compound Name |
tert-butyl (3R)-3-methyl-4-[5-[(1-methylsulfonylpiperidin-4-yl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C21H35N5O5S
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| Molecular Weight |
469.608
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCC2CCN(CC2)S(C)(=O)=O)cn1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C21H35N5O5S/c1-16-14-24(20(27)31-21(2,3)4)10-11-26(16)19-22-12-18(13-23-19)30-15-17-6-8-25(9-7-17)32(5,28)29/h12-13,16-17H,6-11,14-15H2,1-5H3/t16-/m1/s1
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| InChIKey |
GRGQEEUXMIDNPJ-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