General Information of the Compound
| Compound ID |
CP0152210
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| Compound Name |
[3-[(4-chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl]-(1,3-dihydroisoindol-2-yl)methanone
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| Structure |
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| Formula |
C24H21Cl2N3O2
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| Molecular Weight |
454.357
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| Canonical SMILES |
Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1Cc2ccccc2C1)c1cccnc1Cl
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| InChI |
InChI=1S/C24H21Cl2N3O2/c25-19-9-7-16(8-10-19)22(21-6-3-11-27-23(21)26)31-20-14-29(15-20)24(30)28-12-17-4-1-2-5-18(17)13-28/h1-11,20,22H,12-15H2
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| InChIKey |
NOCFJFOFYJSXQM-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