General Information of the Compound
| Compound ID |
CP0576991
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| Compound Name |
6-[(5-fluoropyridin-2-yl)amino]-4-[2-methoxy-3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C30H29FN8O4
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| Molecular Weight |
587.6303053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(=O)Nc2ccc(cc2)C(=O)N2CCCC2)c1OC
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| InChI |
InChI=1S/C30H29FN8O4/c1-32-29(41)26-23(16-25(37-38-26)36-24-13-10-19(31)17-33-24)35-22-7-5-6-21(27(22)43-2)28(40)34-20-11-8-18(9-12-20)30(42)39-14-3-4-15-39/h5-13,16-17H,3-4,14-15H2,1-2H3,(H,32,41)(H,34,40)(H2,33,35,36,37)/i1D3
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| InChIKey |
LMUWUEFLGNSCHX-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