General Information of the Compound
| Compound ID |
CP0343839
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| Compound Name |
2-[2-(4-acetamidophenyl)-4-amino-7-oxo-6H-pyrazolo[3,4-d]pyridazin-3-yl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-6-carboxamide
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| Structure |
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| Formula |
C30H22F3N7O4
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| Molecular Weight |
601.545
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-n1nc2c(c1-c1oc3cc(ccc3c1C)C(=O)Nc1cccc(c1)C(F)(F)F)c(N)n[nH]c2=O
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| InChI |
InChI=1S/C30H22F3N7O4/c1-14-21-11-6-16(28(42)36-19-5-3-4-17(13-19)30(31,32)33)12-22(21)44-26(14)25-23-24(29(43)38-37-27(23)34)39-40(25)20-9-7-18(8-10-20)35-15(2)41/h3-13H,1-2H3,(H2,34,37)(H,35,41)(H,36,42)(H,38,43)
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| InChIKey |
GMVAILVBISMMBH-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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