General Information of the Compound
| Compound ID |
CP0944104
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| Compound Name |
N-[(3-fluoropyridin-2-yl)methyl]-2-(2-{1,8,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-11-yl}ethyl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C22H21FN6OS
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| Molecular Weight |
436.516
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1csc(CCN2CCn3c(nc4ccccc43)C2)n1
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| InChI |
InChI=1S/C22H21FN6OS/c23-15-4-3-8-24-17(15)12-25-22(30)18-14-31-21(27-18)7-9-28-10-11-29-19-6-2-1-5-16(19)26-20(29)13-28/h1-6,8,14H,7,9-13H2,(H,25,30)
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| InChIKey |
CPGXYLDRGHMZFL-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