General Information of the Compound
| Compound ID |
CP0503112
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| Compound Name |
4-[5-(oxan-4-ylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile
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| Structure |
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| Formula |
C23H21N3O
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| Molecular Weight |
355.441
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| Canonical SMILES |
N#Cc1ccc(cc1)C1(CC2CCOCC2)c2ccccc2-c2nccn12
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| InChI |
InChI=1S/C23H21N3O/c24-16-18-5-7-19(8-6-18)23(15-17-9-13-27-14-10-17)21-4-2-1-3-20(21)22-25-11-12-26(22)23/h1-8,11-12,17H,9-10,13-15H2
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| InChIKey |
SGEXXHCHGKVXJH-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