General Information of the Compound
| Compound ID |
CP0578772
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| Compound Name |
N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C29H27N3O4
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| Molecular Weight |
481.552
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| Canonical SMILES |
CN(C)C(=O)c1ccc(nc1)-c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C29H27N3O4/c1-31(2)25(33)20-9-12-24(30-17-20)19-7-10-21(11-8-19)28(13-14-28)27(35)32-16-15-29(18-32)23-6-4-3-5-22(23)26(34)36-29/h3-12,17H,13-16,18H2,1-2H3/t29-/m0/s1
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| InChIKey |
WLFJDKIXEIPHMV-LJAQVGFWSA-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