General Information of the Compound
| Compound ID |
CP0569313
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| Compound Name |
6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-2-[2-methyl-3-(trideuteriomethoxy)indazol-5-yl]pyrido[3,2-c]pyridazin-3-one
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| Formula |
C25H19F4N5O4
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| Molecular Weight |
532.4683053
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| Canonical SMILES |
[2H]C([2H])([2H])Oc1n(C)nc2ccc(cc12)-n1nc2ccc(OCC(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O
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| InChI |
InChI=1S/C25H19F4N5O4/c1-33-24(36-2)16-11-14(5-8-17(16)31-33)34-23(35)21(13-3-6-15(7-4-13)38-25(28)29)22-18(32-34)9-10-20(30-22)37-12-19(26)27/h3-11,19,25H,12H2,1-2H3/i2D3
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| InChIKey |
KNLBVCXCQXXYIW-BMSJAHLVSA-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