General Information of the Compound
| Compound ID |
CP0095792
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| Compound Name |
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone
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| Structure |
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| Formula |
C25H28N4O5
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| Molecular Weight |
464.522
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| Canonical SMILES |
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCOCC2)cc1
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| InChI |
InChI=1S/C25H28N4O5/c1-31-20-9-5-19(6-10-20)23-26-27-24(34-23)25(30)29-16-22(17-29)33-21-7-3-18(4-8-21)15-28-11-2-13-32-14-12-28/h3-10,22H,2,11-17H2,1H3
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| InChIKey |
YJQKVKQPRXATHT-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