General Information of the Compound
| Compound ID |
CP0577198
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| Compound Name |
2-[7-(difluoromethyl)-5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C35H34F2N6O3S
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| Molecular Weight |
656.759
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| Canonical SMILES |
OCC1CCN(Cc2ccc(cc2)C#Cc2cc3C(=O)N(Cc3c(c2)C(F)F)C(C(=O)Nc2nccs2)c2ncn3CCCc23)CC1
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| InChI |
InChI=1S/C35H34F2N6O3S/c36-32(37)26-16-25(8-5-22-3-6-23(7-4-22)18-41-13-9-24(20-44)10-14-41)17-27-28(26)19-43(34(27)46)31(33(45)40-35-38-11-15-47-35)30-29-2-1-12-42(29)21-39-30/h3-4,6-7,11,15-17,21,24,31-32,44H,1-2,9-10,12-14,18-20H2,(H,38,40,45)
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| InChIKey |
ACAARKVFRVCUMK-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