General Information of the Compound
| Compound ID |
CP0093770
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| Compound Name |
[3-[(4-chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl]-(4,4-difluoropiperidin-1-yl)methanone
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| Structure |
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| Formula |
C21H21Cl2F2N3O2
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| Molecular Weight |
456.32
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| Canonical SMILES |
FC1(F)CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
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| InChI |
InChI=1S/C21H21Cl2F2N3O2/c22-15-5-3-14(4-6-15)18(17-2-1-9-26-19(17)23)30-16-12-28(13-16)20(29)27-10-7-21(24,25)8-11-27/h1-6,9,16,18H,7-8,10-13H2
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| InChIKey |
SHHXUIXPXHEWHL-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