General Information of the Compound
| Compound ID |
CP0573489
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| Compound Name |
ethyl 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 |
C19H26N4O3
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| Molecular Weight |
358.442
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| Canonical SMILES |
CCOC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
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| InChI |
InChI=1S/C19H26N4O3/c1-2-26-18(25)22-7-4-19(5-8-22)9-16(19)11-21-17(24)23-12-14-3-6-20-10-15(14)13-23/h3,6,10,16H,2,4-5,7-9,11-13H2,1H3,(H,21,24)
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| InChIKey |
ZENDXEPJMGDZOR-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