General Information of the Compound
| Compound ID |
CP0577710
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| Compound Name |
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[[4-(methylcarbamoyl)phenyl]carbamoyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C26H27N7O5
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| Molecular Weight |
520.5643053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(cc2)C(=O)NC)c1OC
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| InChI |
InChI=1S/C26H27N7O5/c1-27-23(34)14-9-11-16(12-10-14)29-25(36)17-5-4-6-18(22(17)38-3)30-19-13-20(31-24(35)15-7-8-15)32-33-21(19)26(37)28-2/h4-6,9-13,15H,7-8H2,1-3H3,(H,27,34)(H,28,37)(H,29,36)(H2,30,31,32,35)/i2D3
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| InChIKey |
KVFGSUKCYYMXMW-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