General Information of the Compound
| Compound ID |
CP0563738
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| Compound Name |
(1-methoxy-2-methylpropan-2-yl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
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| Structure |
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| Formula |
C22H32N4O4
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| Molecular Weight |
416.522
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| Canonical SMILES |
COCC(C)(C)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
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| InChI |
InChI=1S/C22H32N4O4/c1-21(2,15-29-3)30-20(28)25-8-5-22(6-9-25)10-18(22)12-24-19(27)26-13-16-4-7-23-11-17(16)14-26/h4,7,11,18H,5-6,8-10,12-15H2,1-3H3,(H,24,27)
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| InChIKey |
HBGLDDVTSQIHSE-UHFFFAOYSA-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