General Information of the Compound
| Compound ID |
CP0550033
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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-(hydroxymethyl)piperidin-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 |
C34H33FN6O3S
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| Molecular Weight |
624.742
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| Canonical SMILES |
OCC1CCN(Cc2ccc(cc2)C#Cc2cc3C(=O)N(Cc3c(F)c2)C(C(=O)Nc2nccs2)c2ncn3CCCc23)CC1
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| InChI |
InChI=1S/C34H33FN6O3S/c35-28-17-25(8-5-22-3-6-23(7-4-22)18-39-13-9-24(20-42)10-14-39)16-26-27(28)19-41(33(26)44)31(32(43)38-34-36-11-15-45-34)30-29-2-1-12-40(29)21-37-30/h3-4,6-7,11,15-17,21,24,31,42H,1-2,9-10,12-14,18-20H2,(H,36,38,43)
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| InChIKey |
YFAJABPVZGNPOS-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