General Information of the Compound
| Compound ID |
CP0537980
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| Compound Name |
2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-benzothiazole
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| Structure |
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| Formula |
C22H19FN4S
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| Molecular Weight |
390.487
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| Canonical SMILES |
Fc1cccc2-c3cncn3C(C3CCN(CC3)c3nc4ccccc4s3)c12
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| InChI |
InChI=1S/C22H19FN4S/c23-16-5-3-4-15-18-12-24-13-27(18)21(20(15)16)14-8-10-26(11-9-14)22-25-17-6-1-2-7-19(17)28-22/h1-7,12-14,21H,8-11H2
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| InChIKey |
CASAHZSMBXHXQI-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