General Information of the Compound
| Compound ID |
CP0381743
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| Compound Name |
1-methyl-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 |
C20H22N4O
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| Molecular Weight |
334.423
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| Canonical SMILES |
CN1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccncc1
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| InChI |
InChI=1S/C20H22N4O/c1-23-12-8-20(9-13-23)24-18(16-4-2-3-5-19(16)25-20)14-17(22-24)15-6-10-21-11-7-15/h2-7,10-11,18H,8-9,12-14H2,1H3
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| InChIKey |
ZEDKUCDXZFKSCZ-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