General Information of the Compound
| Compound ID |
CP0381749
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| Compound Name |
1-ethyl-4'-(pyridin-4-yl)-8'-oxa-5',6'-diazaspiro[piperidine-4,7'-tricyclo[7.4.0.0^{2,6}]tridecane]-1'(13'),4',9',11'-tetraene
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| Structure |
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| Formula |
C21H24N4O
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| Molecular Weight |
348.45
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| Canonical SMILES |
CCN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccncc1
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| InChI |
InChI=1S/C21H24N4O/c1-2-24-13-9-21(10-14-24)25-19(17-5-3-4-6-20(17)26-21)15-18(23-25)16-7-11-22-12-8-16/h3-8,11-12,19H,2,9-10,13-15H2,1H3
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| InChIKey |
ZKPPVHCDRPSISC-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