General Information of the Compound
| Compound ID |
CP0546947
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| Compound Name |
4-[3-[[4-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl]phenyl]carbamoyl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C31H30N8O5
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| Molecular Weight |
597.6503053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(cc2)C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)c1OC
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| InChI |
InChI=1S/C31H30N8O5/c1-33-30(42)26-23(14-25(37-38-26)36-28(40)16-6-7-16)35-22-5-3-4-21(27(22)44-2)29(41)34-19-10-8-17(9-11-19)31(43)39-20(15-32)12-18-13-24(18)39/h3-5,8-11,14,16,18,20,24H,6-7,12-13H2,1-2H3,(H,33,42)(H,34,41)(H2,35,36,37,40)/t18-,20+,24+/m1/s1/i1D3
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| InChIKey |
UTRBMJDIGONTMK-SIDYLUQLSA-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