General Information of the Compound
| Compound ID |
CP0543236
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| Compound Name |
(3R)-1'-[1-(4-pyridin-4-ylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
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| Structure |
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| Formula |
C26H22N2O3
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| Molecular Weight |
410.473
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| Canonical SMILES |
O=C(N1CC[C@@]2(C1)OC(=O)c1ccccc21)C1(CC1)c1ccc(cc1)-c1ccncc1
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| InChI |
InChI=1S/C26H22N2O3/c29-23-21-3-1-2-4-22(21)26(31-23)13-16-28(17-26)24(30)25(11-12-25)20-7-5-18(6-8-20)19-9-14-27-15-10-19/h1-10,14-15H,11-13,16-17H2/t26-/m0/s1
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| InChIKey |
NMZAFRVJHPOFGU-SANMLTNESA-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