General Information of the Compound
| Compound ID |
CP0388913
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| Compound Name |
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
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| Structure |
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| Formula |
C10H13N3O
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| Molecular Weight |
191.234
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| Canonical SMILES |
CN1CCC=C(C1)C1=NOC(C1)C#N
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| InChI |
InChI=1S/C10H13N3O/c1-13-4-2-3-8(7-13)10-5-9(6-11)14-12-10/h3,9H,2,4-5,7H2,1H3
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| InChIKey |
GXATUVHDTBQTHZ-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