General Information of the Compound
| Compound ID |
CP0244679
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| Compound Name |
1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]furan-2,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C29H33ClN2O3S
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| Molecular Weight |
525.114
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| Canonical SMILES |
CN(C[C@@H](CCN1CCC2(Cc3ccccc3O2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C29H33ClN2O3S/c1-31(36(33,34)27-11-3-2-4-12-27)22-25(23-9-7-10-26(30)20-23)14-17-32-18-15-29(16-19-32)21-24-8-5-6-13-28(24)35-29/h2-13,20,25H,14-19,21-22H2,1H3/t25-/m1/s1
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| InChIKey |
YFTCALDDQYKURH-RUZDIDTESA-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