General Information of the Compound
| Compound ID |
CP0503444
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| Compound Name |
4-[5-(cyclopentylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile
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| Structure |
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| Formula |
C23H21N3
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| Molecular Weight |
339.442
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| Canonical SMILES |
N#Cc1ccc(cc1)C1(CC2CCCC2)c2ccccc2-c2nccn12
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| InChI |
InChI=1S/C23H21N3/c24-16-18-9-11-19(12-10-18)23(15-17-5-1-2-6-17)21-8-4-3-7-20(21)22-25-13-14-26(22)23/h3-4,7-14,17H,1-2,5-6,15H2
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| InChIKey |
CWKRGQQRVIMALU-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