General Information of the Compound
| Compound ID |
CP0848279
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| Compound Name |
(+/-)-3-Methyloxetan-3-yl1-((2,3-Dihydro-1H-pyrrolo[3,4-c]-pyridine-2-carboxamido-1,1,3,3-d4)methyl)-6-azaspiro[2.5]-octane-6-carboxylate
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| Structure |
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| Formula |
C21H28N4O4
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| Molecular Weight |
404.5034071
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| Canonical SMILES |
[2H]C1([2H])c2ccncc2C([2H])([2H])N1C(=O)NCC1CC12CCN(C(=O)OC1(C)COC1)CC2
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| InChI |
InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(H,23,26)/i11D2,12D2
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| InChIKey |
QFORHKAMQGBXQZ-AREBVXNXSA-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