General Information of the Compound
| Compound ID |
CP0546331
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| Compound Name |
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone
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| Structure |
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| Formula |
C21H26N6O2
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| Molecular Weight |
394.479
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| Canonical SMILES |
O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cnccn2)nc1
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| InChI |
InChI=1S/C21H26N6O2/c28-18(27-9-4-20(15-27)5-10-29-11-6-20)16-12-24-19(25-13-16)26-21(2-1-3-21)17-14-22-7-8-23-17/h7-8,12-14H,1-6,9-11,15H2,(H,24,25,26)
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| InChIKey |
NMEJEQWJOOWNFC-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
Protein ID: PT07281, Biotinidase
Protein ID: PT04789, Pantetheinase