General Information of the Compound
| Compound ID |
CP0579294
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| Compound Name |
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[[6-(pyrrolidine-1-carbonyl)pyridin-3-yl]carbamoyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C28H30N8O5
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| Molecular Weight |
561.6173053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(nc2)C(=O)N2CCCC2)c1OC
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| InChI |
InChI=1S/C28H30N8O5/c1-29-27(39)23-21(14-22(34-35-23)33-25(37)16-8-9-16)32-19-7-5-6-18(24(19)41-2)26(38)31-17-10-11-20(30-15-17)28(40)36-12-3-4-13-36/h5-7,10-11,14-16H,3-4,8-9,12-13H2,1-2H3,(H,29,39)(H,31,38)(H2,32,33,34,37)/i1D3
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| InChIKey |
NGWVZLZTMOBRGM-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