General Information of the Compound
| Compound ID |
CP0501177
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| Compound Name |
5-(4-chlorophenyl)-6-methoxy-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole
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| Structure |
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| Formula |
C23H23ClN2O2
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| Molecular Weight |
394.902
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| Canonical SMILES |
COc1cccc2-c3nccn3C(CC3CCOCC3)(c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H23ClN2O2/c1-27-20-4-2-3-19-21(20)23(26-12-11-25-22(19)26,15-16-9-13-28-14-10-16)17-5-7-18(24)8-6-17/h2-8,11-12,16H,9-10,13-15H2,1H3
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| InChIKey |
PKDQCAGZDKVVNX-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