General Information of the Compound
| Compound ID |
CP0573237
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| Compound Name |
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[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 |
C33H32N6O3S
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| Molecular Weight |
592.725
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| Canonical SMILES |
OC1CCN(Cc2ccc(cc2)C#Cc2ccc3CN(C(C(=O)Nc4nccs4)c4ncn5CCCc45)C(=O)c3c2)CC1
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| InChI |
InChI=1S/C33H32N6O3S/c40-26-11-15-37(16-12-26)19-24-7-4-22(5-8-24)3-6-23-9-10-25-20-39(32(42)27(25)18-23)30(31(41)36-33-34-13-17-43-33)29-28-2-1-14-38(28)21-35-29/h4-5,7-10,13,17-18,21,26,30,40H,1-2,11-12,14-16,19-20H2,(H,34,36,41)
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| InChIKey |
KMUZGSAUMCIVDB-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