General Information of the Compound
| Compound ID |
CP0035340
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| Compound Name |
2'-(2-(benzofuran-2-yl)pyrimidin-4-yl)-1-ethyl-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one
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| Structure |
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| Formula |
C25H25N5O2
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| Molecular Weight |
427.508
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| Canonical SMILES |
CCN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(n1)-c1cc2ccccc2o1
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| InChI |
InChI=1S/C25H25N5O2/c1-2-30-11-8-25(9-12-30)15-27-24(31)17-14-19(28-22(17)25)18-7-10-26-23(29-18)21-13-16-5-3-4-6-20(16)32-21/h3-7,10,13-14,28H,2,8-9,11-12,15H2,1H3,(H,27,31)
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| InChIKey |
QJSFMBMLYRDOMB-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