General Information of the Compound
| Compound ID |
CP0569045
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| Compound Name |
N-methyl-4-[5-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C28H25N3O4
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| Molecular Weight |
467.525
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| Canonical SMILES |
CNC(=O)c1ccc(cc1)-c1ccc(cn1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C28H25N3O4/c1-29-24(32)19-8-6-18(7-9-19)23-11-10-20(16-30-23)27(12-13-27)26(34)31-15-14-28(17-31)22-5-3-2-4-21(22)25(33)35-28/h2-11,16H,12-15,17H2,1H3,(H,29,32)/t28-/m0/s1
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| InChIKey |
MTHCZEZJOIARBI-NDEPHWFRSA-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