General Information of the Compound
| Compound ID |
CP0229469
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| Compound Name |
8-oxa-2-azaspiro[4.5]dec l{2-[(pyrazin-2-ylmethyl)amino]pyrimidin-5-yl}methanone
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| Structure |
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| Formula |
C18H22N6O2
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| Molecular Weight |
354.414
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| Canonical SMILES |
O=C(N1CCC2(C1)CCOCC2)c1cnc(NCc2cnccn2)nc1
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| InChI |
InChI=1S/C18H22N6O2/c25-16(24-6-1-18(13-24)2-7-26-8-3-18)14-9-21-17(22-10-14)23-12-15-11-19-4-5-20-15/h4-5,9-11H,1-3,6-8,12-13H2,(H,21,22,23)
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| InChIKey |
VGRLXWFIXGZRMS-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