General Information of the Compound
| Compound ID |
CP0568126
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| Compound Name |
4-[3-[[4-(cyclopentylcarbamoyl)phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C30H33N7O5
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| Molecular Weight |
574.6563053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(cc2)C(=O)NC2CCCC2)c1OC
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| InChI |
InChI=1S/C30H33N7O5/c1-31-30(41)25-23(16-24(36-37-25)35-28(39)17-10-11-17)34-22-9-5-8-21(26(22)42-2)29(40)33-20-14-12-18(13-15-20)27(38)32-19-6-3-4-7-19/h5,8-9,12-17,19H,3-4,6-7,10-11H2,1-2H3,(H,31,41)(H,32,38)(H,33,40)(H2,34,35,36,39)/i1D3
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| InChIKey |
LMLGOAFWNQMRIC-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