General Information of the Compound
| Compound ID |
CP0572658
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| Compound Name |
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[[4-(oxan-4-ylmethylamino)phenyl]carbamoyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C30H35N7O5
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| Molecular Weight |
576.6723053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(NCC3CCOCC3)cc2)c1OC
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| InChI |
InChI=1S/C30H35N7O5/c1-31-30(40)26-24(16-25(36-37-26)35-28(38)19-6-7-19)34-23-5-3-4-22(27(23)41-2)29(39)33-21-10-8-20(9-11-21)32-17-18-12-14-42-15-13-18/h3-5,8-11,16,18-19,32H,6-7,12-15,17H2,1-2H3,(H,31,40)(H,33,39)(H2,34,35,36,38)/i1D3
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| InChIKey |
CMCCQSJMQZTKNW-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