General Information of the Compound
| Compound ID |
CP0572657
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| Compound Name |
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C28H31N7O6S
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| Molecular Weight |
596.6843053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c1OC
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| InChI |
InChI=1S/C28H31N7O6S/c1-29-28(38)24-22(16-23(33-34-24)32-26(36)17-8-9-17)31-21-7-5-6-20(25(21)41-2)27(37)30-18-10-12-19(13-11-18)42(39,40)35-14-3-4-15-35/h5-7,10-13,16-17H,3-4,8-9,14-15H2,1-2H3,(H,29,38)(H,30,37)(H2,31,32,33,36)/i1D3
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| InChIKey |
HOTQVSOCQDWZJD-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