General Information of the Compound
| Compound ID |
CP0549311
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| Compound Name |
8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidin-5-yl)methanone
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| Structure |
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| Formula |
C20H24N6O2
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| Molecular Weight |
380.452
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| Canonical SMILES |
O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CC2)c2cncnc2)nc1
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| InChI |
InChI=1S/C20H24N6O2/c27-17(26-6-3-19(13-26)4-7-28-8-5-19)15-9-23-18(24-10-15)25-20(1-2-20)16-11-21-14-22-12-16/h9-12,14H,1-8,13H2,(H,23,24,25)
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| InChIKey |
MDTZZODWFCJPTF-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