General Information of the Compound
| Compound ID |
CP0152205
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| Compound Name |
[3-[(2-chloropyridin-3-yl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C22H26ClN3O3
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| Molecular Weight |
415.921
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| Canonical SMILES |
COc1cccc(c1)C(OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl
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| InChI |
InChI=1S/C22H26ClN3O3/c1-28-17-8-5-7-16(13-17)20(19-9-6-10-24-21(19)23)29-18-14-26(15-18)22(27)25-11-3-2-4-12-25/h5-10,13,18,20H,2-4,11-12,14-15H2,1H3
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| InChIKey |
WPVRQOXZCVLZQE-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