General Information of the Compound
| Compound ID |
CP0331999
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| Compound Name |
[3-[(4-chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
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| Structure |
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| Formula |
C25H23Cl2N3O2
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| Molecular Weight |
468.384
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| Canonical SMILES |
Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCc2ccccc2C1)c1cccnc1Cl
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| InChI |
InChI=1S/C25H23Cl2N3O2/c26-20-9-7-18(8-10-20)23(22-6-3-12-28-24(22)27)32-21-15-30(16-21)25(31)29-13-11-17-4-1-2-5-19(17)14-29/h1-10,12,21,23H,11,13-16H2
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| InChIKey |
ZDMFHODHWJIWPD-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