General Information of the Compound
| Compound ID |
CP0416193
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| Compound Name |
tert-butyl (3R)-4-[5-[(2-fluoro-4-methylsulfonylphenyl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
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| Structure |
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| Formula |
C22H29FN4O5S
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| Molecular Weight |
480.562
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C22H29FN4O5S/c1-15-13-26(21(28)32-22(2,3)4)8-9-27(15)20-24-11-17(12-25-20)31-14-16-6-7-18(10-19(16)23)33(5,29)30/h6-7,10-12,15H,8-9,13-14H2,1-5H3/t15-/m1/s1
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| InChIKey |
KGJGWMONADZJGW-OAHLLOKOSA-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