General Information of the Compound
| Compound ID |
CP0247408
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| Compound Name |
tert-butyl 4-[5-(pyridin-4-ylmethoxy)pyrimidin-2-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C19H25N5O3
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| Molecular Weight |
371.441
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(OCc2ccncc2)cn1
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| InChI |
InChI=1S/C19H25N5O3/c1-19(2,3)27-18(25)24-10-8-23(9-11-24)17-21-12-16(13-22-17)26-14-15-4-6-20-7-5-15/h4-7,12-13H,8-11,14H2,1-3H3
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| InChIKey |
GYLVPMDDUCFZCW-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