General Information of the Compound
| Compound ID |
CP0305943
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| Compound Name |
(4-benzylpiperidin-1-yl)-[3-[(4-chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl]methanone
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| Structure |
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| Formula |
C28H29Cl2N3O2
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| Molecular Weight |
510.465
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| Canonical SMILES |
Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCC(Cc2ccccc2)CC1)c1cccnc1Cl
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| InChI |
InChI=1S/C28H29Cl2N3O2/c29-23-10-8-22(9-11-23)26(25-7-4-14-31-27(25)30)35-24-18-33(19-24)28(34)32-15-12-21(13-16-32)17-20-5-2-1-3-6-20/h1-11,14,21,24,26H,12-13,15-19H2
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| InChIKey |
UZRRJJHRQKXSOP-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