General Information of the Compound
| Compound ID |
CP0305941
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| Compound Name |
[3-[1,3-benzodioxol-5-yl-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C22H24ClN3O4
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| Molecular Weight |
429.904
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| Canonical SMILES |
Clc1ncccc1C(OC1CN(C1)C(=O)N1CCCCC1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C22H24ClN3O4/c23-21-17(5-4-8-24-21)20(15-6-7-18-19(11-15)29-14-28-18)30-16-12-26(13-16)22(27)25-9-2-1-3-10-25/h4-8,11,16,20H,1-3,9-10,12-14H2
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| InChIKey |
HLHBATTXPJZIRB-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