General Information of the Compound
| Compound ID |
CP0543349
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| Compound Name |
4-[2-methoxy-3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]anilino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C30H30N8O4
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| Molecular Weight |
569.6403053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)Nc2ccc(cc2)C(=O)N2CCCC2)c1OC
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| InChI |
InChI=1S/C30H30N8O4/c1-31-29(40)26-23(18-25(36-37-26)35-24-10-3-4-15-32-24)34-22-9-7-8-21(27(22)42-2)28(39)33-20-13-11-19(12-14-20)30(41)38-16-5-6-17-38/h3-4,7-15,18H,5-6,16-17H2,1-2H3,(H,31,40)(H,33,39)(H2,32,34,35,36)/i1D3
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| InChIKey |
GKFGCLBLIUJSPT-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