General Information of the Compound
| Compound ID |
CP0856631
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| Compound Name |
(+/-)-N-((6-(2,4-Dimethyloxazole-5-carbonyl)-6-azaspiro[2.5]-octan-1-yl)methyl)-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxamide
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| Structure |
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| Formula |
C22H27N5O3
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| Molecular Weight |
409.49
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| Canonical SMILES |
Cc1nc(C)c(C(=O)N2CCC3(CC2)CC3CNC(=O)N2Cc3ccncc3C2)o1
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| InChI |
InChI=1S/C22H27N5O3/c1-14-19(30-15(2)25-14)20(28)26-7-4-22(5-8-26)9-18(22)11-24-21(29)27-12-16-3-6-23-10-17(16)13-27/h3,6,10,18H,4-5,7-9,11-13H2,1-2H3,(H,24,29)
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| InChIKey |
UDWXXTJROJGPCK-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