General Information of the Compound
| Compound ID |
CP0456147
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| Compound Name |
N-[[6-(tert-butylcarbamoyl)-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 |
C21H31N5O2
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| Molecular Weight |
385.512
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| Canonical SMILES |
CC(C)(C)NC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
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| InChI |
InChI=1S/C21H31N5O2/c1-20(2,3)24-19(28)25-8-5-21(6-9-25)10-17(21)12-23-18(27)26-13-15-4-7-22-11-16(15)14-26/h4,7,11,17H,5-6,8-10,12-14H2,1-3H3,(H,23,27)(H,24,28)
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| InChIKey |
MLOKJJCINCOVFR-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