General Information of the Compound
| Compound ID |
CP0030408
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| Compound Name |
(3R)-N-(6-propan-2-ylpyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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| Structure |
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| Formula |
C16H23N5O
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| Molecular Weight |
301.394
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| Canonical SMILES |
CC(C)c1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1
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| InChI |
InChI=1S/C16H23N5O/c1-11(2)13-7-14(19-10-18-13)20-15-17-8-16(22-15)9-21-5-3-12(16)4-6-21/h7,10-12H,3-6,8-9H2,1-2H3,(H,17,18,19,20)/t16-/m0/s1
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| InChIKey |
QGZOVUOHCCMRQN-INIZCTEOSA-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