General Information of the Compound
| Compound ID |
CP0301230
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| Compound Name |
tert-butyl (1S,4S)-5-[5-[(4-methylsulfonylphenyl)methoxy]pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
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| Structure |
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| Formula |
C22H28N4O5S
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| Molecular Weight |
460.556
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| Canonical SMILES |
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1
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| InChI |
InChI=1S/C22H28N4O5S/c1-22(2,3)31-21(27)26-13-16-9-17(26)12-25(16)20-23-10-18(11-24-20)30-14-15-5-7-19(8-6-15)32(4,28)29/h5-8,10-11,16-17H,9,12-14H2,1-4H3/t16-,17-/m0/s1
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| InChIKey |
HJXNBIOSQIYJTB-IRXDYDNUSA-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