General Information of the Compound
| Compound ID |
CP0575817
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| Compound Name |
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-5-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]ethynyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C33H31FN6O3S
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| Molecular Weight |
610.715
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| Canonical SMILES |
OC1CCN(Cc2ccc(cc2)C#Cc2cc3C(=O)N(Cc3c(F)c2)C(C(=O)Nc2nccs2)c2ncn3CCCc23)CC1
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| InChI |
InChI=1S/C33H31FN6O3S/c34-27-17-23(8-5-21-3-6-22(7-4-21)18-38-13-9-24(41)10-14-38)16-25-26(27)19-40(32(25)43)30(31(42)37-33-35-11-15-44-33)29-28-2-1-12-39(28)20-36-29/h3-4,6-7,11,15-17,20,24,30,41H,1-2,9-10,12-14,18-19H2,(H,35,37,42)
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| InChIKey |
FTRZCCMLFPUDEZ-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