General Information of the Compound
| Compound ID |
CP0527037
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| Compound Name |
5-bromo-1'-[(3-methylpyridin-2-yl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
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| Structure |
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| Formula |
C31H28BrN3O
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| Molecular Weight |
538.489
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| Canonical SMILES |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(Br)cc21)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C31H28BrN3O/c1-22-6-5-17-33-28(22)21-34-18-15-31(16-19-34)27-20-25(32)11-14-29(27)35(30(31)36)26-12-9-24(10-13-26)23-7-3-2-4-8-23/h2-14,17,20H,15-16,18-19,21H2,1H3
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| InChIKey |
YSFBPYKNKPRGMD-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