General Information of the Compound
| Compound ID |
CP0577622
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| Compound Name |
4-[3-[[4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C31H33N7O5
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| Molecular Weight |
586.6673053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(cc2)C(=O)N2C3CCC2CC3)c1OC
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| InChI |
InChI=1S/C31H33N7O5/c1-32-30(41)26-24(16-25(36-37-26)35-28(39)17-6-7-17)34-23-5-3-4-22(27(23)43-2)29(40)33-19-10-8-18(9-11-19)31(42)38-20-12-13-21(38)15-14-20/h3-5,8-11,16-17,20-21H,6-7,12-15H2,1-2H3,(H,32,41)(H,33,40)(H2,34,35,36,39)/i1D3
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| InChIKey |
BZZCUPWZTNLANM-FIBGUPNXSA-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