General Information of the Compound
| Compound ID |
CP0339349
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| Compound Name |
[3-[(4-chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C22H25Cl2N3O3
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| Molecular Weight |
450.366
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| Canonical SMILES |
OCC1CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
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| InChI |
InChI=1S/C22H25Cl2N3O3/c23-17-5-3-16(4-6-17)20(19-2-1-9-25-21(19)24)30-18-12-27(13-18)22(29)26-10-7-15(14-28)8-11-26/h1-6,9,15,18,20,28H,7-8,10-14H2
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| InChIKey |
CSRMQNWBLYGBAK-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