General Information of the Compound
| Compound ID |
CP0376228
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| Compound Name |
1-(2-phenylethyl)-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 |
C27H28N4O
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| Molecular Weight |
424.548
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| Canonical SMILES |
C(Cc1ccccc1)N1CCC2(CC1)Oc1ccccc1C1CC(=NN21)c1ccncc1
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| InChI |
InChI=1S/C27H28N4O/c1-2-6-21(7-3-1)12-17-30-18-13-27(14-19-30)31-25(23-8-4-5-9-26(23)32-27)20-24(29-31)22-10-15-28-16-11-22/h1-11,15-16,25H,12-14,17-20H2
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| InChIKey |
UDGRDEHNLPZGFP-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