General Information of the Compound
| Compound ID |
CP0570313
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| Compound Name |
6-(cyclopropanecarbonylamino)-4-[3-[[4-[[(2S)-1,4-dioxan-2-yl]methylamino]phenyl]carbamoyl]-5-fluoro-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C29H32FN7O6
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| Molecular Weight |
596.6343053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(C(=O)Nc2ccc(NC[C@H]3COCCO3)cc2)c1OC
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| InChI |
InChI=1S/C29H32FN7O6/c1-31-29(40)25-22(13-24(36-37-25)35-27(38)16-3-4-16)34-23-12-17(30)11-21(26(23)41-2)28(39)33-19-7-5-18(6-8-19)32-14-20-15-42-9-10-43-20/h5-8,11-13,16,20,32H,3-4,9-10,14-15H2,1-2H3,(H,31,40)(H,33,39)(H2,34,35,36,38)/t20-/m0/s1/i1D3
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| InChIKey |
CSAKVQOMGJPOBP-ZNCSYKOHSA-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