General Information of the Compound
| Compound ID |
CP0543557
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| Compound Name |
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(2-pyridin-3-ylethynyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C26H19FN6O2S
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| Molecular Weight |
498.543
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| Canonical SMILES |
Fc1cc(cc2C(=O)N(Cc12)C(C(=O)Nc1nccs1)c1ncn2CCCc12)C#Cc1cccnc1
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| InChI |
InChI=1S/C26H19FN6O2S/c27-20-12-17(6-5-16-3-1-7-28-13-16)11-18-19(20)14-33(25(18)35)23(24(34)31-26-29-8-10-36-26)22-21-4-2-9-32(21)15-30-22/h1,3,7-8,10-13,15,23H,2,4,9,14H2,(H,29,31,34)
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| InChIKey |
VTFJFSGVIVLQOB-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