General Information of the Compound
| Compound ID |
CP0299088
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| Compound Name |
tert-butyl 3,3-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 |
CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccc(cc3)S(C)(=O)=O)cn2)C(C)(C)C1
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| InChI |
InChI=1S/C23H32N4O5S/c1-22(2,3)32-21(28)26-11-12-27(23(4,5)16-26)20-24-13-18(14-25-20)31-15-17-7-9-19(10-8-17)33(6,29)30/h7-10,13-14H,11-12,15-16H2,1-6H3
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| InChIKey |
VAOPWNNCICWMMV-UHFFFAOYSA-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