General Information of the Compound
| Compound ID |
CP0244680
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| Compound Name |
1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]-2-methyl-3-oxospiro[2,3-dihydro-1H-isoindole-1,4'-(hexahydropyridine)]
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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)N(C)C(=O)c1ccccc21)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C30H34ClN3O3S/c1-32(38(36,37)26-11-4-3-5-12-26)22-24(23-9-8-10-25(31)21-23)15-18-34-19-16-30(17-20-34)28-14-7-6-13-27(28)29(35)33(30)2/h3-14,21,24H,15-20,22H2,1-2H3/t24-/m1/s1
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| InChIKey |
WFIFDHURFZVODR-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