General Information of the Compound
| Compound ID |
CP0568125
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| Compound Name |
4-[3-[(5-carbamoylthiophen-3-yl)carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C23H23N7O5S
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| Molecular Weight |
512.5663053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2csc(c2)C(N)=O)c1OC
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| InChI |
InChI=1S/C23H23N7O5S/c1-25-23(34)18-15(9-17(29-30-18)28-21(32)11-6-7-11)27-14-5-3-4-13(19(14)35-2)22(33)26-12-8-16(20(24)31)36-10-12/h3-5,8-11H,6-7H2,1-2H3,(H2,24,31)(H,25,34)(H,26,33)(H2,27,28,29,32)/i1D3
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| InChIKey |
OAQQNRTZHSBDRO-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