General Information of the Compound
| Compound ID |
CP0574921
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| Compound Name |
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[3-oxo-5-[2-[4-(piperidin-1-ylmethyl)phenyl]ethynyl]-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C33H32N6O2S
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| Molecular Weight |
576.726
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| Canonical SMILES |
O=C(Nc1nccs1)C(N1Cc2ccc(cc2C1=O)C#Cc1ccc(CN2CCCCC2)cc1)c1ncn2CCCc12
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| InChI |
InChI=1S/C33H32N6O2S/c40-31(36-33-34-14-18-42-33)30(29-28-5-4-17-38(28)22-35-29)39-21-26-13-12-24(19-27(26)32(39)41)9-6-23-7-10-25(11-8-23)20-37-15-2-1-3-16-37/h7-8,10-14,18-19,22,30H,1-5,15-17,20-21H2,(H,34,36,40)
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| InChIKey |
GVOVNRNBMZTWHO-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