General Information of the Compound
| Compound ID |
CP0576989
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| Compound Name |
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[[4-(2,2,5,5-tetradeuteriopyrrolidine-1-carbonyl)phenyl]carbamoyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C29H31N7O5
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| Molecular Weight |
564.6537124
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(cc2)C(=O)N2C([2H])([2H])CCC2([2H])[2H])c1OC
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| InChI |
InChI=1S/C29H31N7O5/c1-30-28(39)24-22(16-23(34-35-24)33-26(37)17-8-9-17)32-21-7-5-6-20(25(21)41-2)27(38)31-19-12-10-18(11-13-19)29(40)36-14-3-4-15-36/h5-7,10-13,16-17H,3-4,8-9,14-15H2,1-2H3,(H,30,39)(H,31,38)(H2,32,33,34,37)/i1D3,14D2,15D2
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| InChIKey |
WZBGUPPRTZADHC-KEDDFYHOSA-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