General Information of the Compound
| Compound ID |
CP0550031
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| Compound Name |
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[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 |
C26H20N6O2S
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| Molecular Weight |
480.553
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| Canonical SMILES |
O=C(Nc1nccs1)C(N1Cc2ccc(cc2C1=O)C#Cc1cccnc1)c1ncn2CCCc12
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| InChI |
InChI=1S/C26H20N6O2S/c33-24(30-26-28-10-12-35-26)23(22-21-4-2-11-31(21)16-29-22)32-15-19-8-7-17(13-20(19)25(32)34)5-6-18-3-1-9-27-14-18/h1,3,7-10,12-14,16,23H,2,4,11,15H2,(H,28,30,33)
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| InChIKey |
NNRWAFNZNOEGGS-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