General Information of the Compound
| Compound ID |
CP0576722
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| Compound Name |
6-(cyclopropanecarbonylamino)-4-[3-[[4-(ethylcarbamoyl)phenyl]carbamoyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C27H29N7O5
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| Molecular Weight |
534.5913053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(cc2)C(=O)NCC)c1OC
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| InChI |
InChI=1S/C27H29N7O5/c1-4-29-24(35)15-10-12-17(13-11-15)30-26(37)18-6-5-7-19(23(18)39-3)31-20-14-21(32-25(36)16-8-9-16)33-34-22(20)27(38)28-2/h5-7,10-14,16H,4,8-9H2,1-3H3,(H,28,38)(H,29,35)(H,30,37)(H2,31,32,33,36)/i2D3
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| InChIKey |
UUBDKKZVJCTHOR-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