General Information of the Compound
| Compound ID |
CP0452266
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| Compound Name |
tert-butyl 4-[5-[(2-methylpyridin-4-yl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C20H27N5O3
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| Molecular Weight |
385.468
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| Canonical SMILES |
Cc1cc(COc2cnc(nc2)N2CCN(CC2)C(=O)OC(C)(C)C)ccn1
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| InChI |
InChI=1S/C20H27N5O3/c1-15-11-16(5-6-21-15)14-27-17-12-22-18(23-13-17)24-7-9-25(10-8-24)19(26)28-20(2,3)4/h5-6,11-13H,7-10,14H2,1-4H3
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| InChIKey |
SEFGCAWIEXGQET-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