General Information of the Compound
| Compound ID |
CP0576042
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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-(5,5-dimethyl-6,7-dihydropyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C37H38F2N6O3S
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| Molecular Weight |
684.813
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| Canonical SMILES |
CC1(C)CCc2c(ncn12)C(N1Cc2c(cc(cc2C(F)F)C#Cc2ccc(CN3CCC(CO)CC3)cc2)C1=O)C(=O)Nc1nccs1
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| InChI |
InChI=1S/C37H38F2N6O3S/c1-37(2)12-9-30-31(41-22-45(30)37)32(34(47)42-36-40-13-16-49-36)44-20-29-27(33(38)39)17-26(18-28(29)35(44)48)8-5-23-3-6-24(7-4-23)19-43-14-10-25(21-46)11-15-43/h3-4,6-7,13,16-18,22,25,32-33,46H,9-12,14-15,19-21H2,1-2H3,(H,40,42,47)
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| InChIKey |
XAARYUGOCWIQON-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