General Information of the Compound
| Compound ID |
CP0503987
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| Compound Name |
N-[5-(3-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C24H22N4O4
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| Molecular Weight |
430.464
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| Canonical SMILES |
COc1cccc(c1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
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| InChI |
InChI=1S/C24H22N4O4/c1-31-18-6-4-5-16(13-18)17-14-25-22(26-15-17)27-23(30)28-11-9-24(10-12-28)20-8-3-2-7-19(20)21(29)32-24/h2-8,13-15H,9-12H2,1H3,(H,25,26,27,30)
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| InChIKey |
AHOCDNAVZUWHDJ-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