General Information of the Compound
| Compound ID |
CP0944294
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| Compound Name |
2-(1-(2-(1H-benzo[d]imidazol-2-yl)ethyl)pyrrolidin-3-yl)-N-((3-fluoropyridin-2-yl)methyl)thiazole-4-carboxamide
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| Structure |
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| Formula |
C23H23FN6OS
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| Molecular Weight |
450.543
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1csc(C2CCN(CCc3nc4ccccc4[nH]3)C2)n1
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| InChI |
InChI=1S/C23H23FN6OS/c24-16-4-3-9-25-19(16)12-26-22(31)20-14-32-23(29-20)15-7-10-30(13-15)11-8-21-27-17-5-1-2-6-18(17)28-21/h1-6,9,14-15H,7-8,10-13H2,(H,26,31)(H,27,28)
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| InChIKey |
BODYYJQTMUMJNT-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