General Information of the Compound
| Compound ID |
CP0549579
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| Compound Name |
1-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]-2'-oxospiro[hexahydropyridine-4,4'-(1',2',3',4'-tetrahydroquinoline)]
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| Structure |
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| Formula |
C30H34ClN3O3S
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| Molecular Weight |
552.14
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| Canonical SMILES |
CN(C[C@@H](CCN1CCC2(CC1)CC(=O)Nc1ccccc21)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C30H34ClN3O3S/c1-33(38(36,37)26-10-3-2-4-11-26)22-24(23-8-7-9-25(31)20-23)14-17-34-18-15-30(16-19-34)21-29(35)32-28-13-6-5-12-27(28)30/h2-13,20,24H,14-19,21-22H2,1H3,(H,32,35)/t24-/m1/s1
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| InChIKey |
NMYAJBAKQIGAGY-XMMPIXPASA-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