General Information of the Compound
| Compound ID |
CP0118998
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| Compound Name |
1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl)ethyl)piperidin-1-yl)-2-(pyrimidin-5- yl)ethanone
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| Structure |
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| Formula |
C23H25N5O2
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| Molecular Weight |
403.486
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| Canonical SMILES |
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1cncnc1
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| InChI |
InChI=1S/C23H25N5O2/c29-22(10-20-18-3-1-2-4-19(18)21-13-26-15-28(20)21)17-5-7-27(8-6-17)23(30)9-16-11-24-14-25-12-16/h1-4,11-15,17,20,22,29H,5-10H2
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| InChIKey |
DUECNPBMYIFWGD-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