General Information of the Compound
| Compound ID |
CP0119002
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| Compound Name |
N-((1r,4r)-4-(1-hydroxy-2-(5H-imidazo[5,1- a]isoindol-5-yl)ethyl)cyclohexyl)benzamide
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| Formula |
C25H27N3O2
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| Molecular Weight |
401.51
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| Canonical SMILES |
OC(CC1c2ccccc2-c2cncn12)[C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1
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| InChI |
InChI=1S/C25H27N3O2/c29-24(14-22-20-8-4-5-9-21(20)23-15-26-16-28(22)23)17-10-12-19(13-11-17)27-25(30)18-6-2-1-3-7-18/h1-9,15-17,19,22,24,29H,10-14H2,(H,27,30)/t17-,19-,22?,24?
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| InChIKey |
GGPLEOHHSWNDKN-HHVDKCBWSA-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