General Information of the Compound
| Compound ID |
CP0202851
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| Compound Name |
tert-butyl 4-[5-[4-(cyanomethoxy)phenyl]pyrimidin-2-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C21H25N5O3
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| Molecular Weight |
395.463
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(cn1)-c1ccc(OCC#N)cc1
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| InChI |
InChI=1S/C21H25N5O3/c1-21(2,3)29-20(27)26-11-9-25(10-12-26)19-23-14-17(15-24-19)16-4-6-18(7-5-16)28-13-8-22/h4-7,14-15H,9-13H2,1-3H3
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| InChIKey |
ZSSWXMJOSBUALT-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