General Information of the Compound
| Compound ID |
CP0567647
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| Compound Name |
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[3-oxo-5-(2-phenylethynyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C27H21N5O2S
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| Molecular Weight |
479.565
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| Canonical SMILES |
O=C(Nc1nccs1)C(N1Cc2ccc(cc2C1=O)C#Cc1ccccc1)c1ncn2CCCc12
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| InChI |
InChI=1S/C27H21N5O2S/c33-25(30-27-28-12-14-35-27)24(23-22-7-4-13-31(22)17-29-23)32-16-20-11-10-19(15-21(20)26(32)34)9-8-18-5-2-1-3-6-18/h1-3,5-6,10-12,14-15,17,24H,4,7,13,16H2,(H,28,30,33)
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| InChIKey |
DRZFMIOMDPCEKY-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