General Information of the Compound
| Compound ID |
CP0451499
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| Compound Name |
N-[[6-[2-(3-methyloxetan-3-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C22H30N4O3
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| Molecular Weight |
398.507
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| Canonical SMILES |
CC1(CC(=O)N2CCC3(CC3CNC(=O)N3Cc4ccncc4C3)CC2)COC1
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| InChI |
InChI=1S/C22H30N4O3/c1-21(14-29-15-21)9-19(27)25-6-3-22(4-7-25)8-18(22)11-24-20(28)26-12-16-2-5-23-10-17(16)13-26/h2,5,10,18H,3-4,6-9,11-15H2,1H3,(H,24,28)
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| InChIKey |
XTLQWWOBQUJTIR-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