General Information of the Compound
| Compound ID |
CP0409030
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| Compound Name |
1'-[4-phenyl-1-phenylsulfonyl-(3R,4S)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)1-oxide]
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| Structure |
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| Formula |
C29H32N2O3S2
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| Molecular Weight |
520.72
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| Canonical SMILES |
O=S1CC2(CCN(C[C@@H]3CN(C[C@@H]3c3ccccc3)S(=O)(=O)c3ccccc3)CC2)c2ccccc12
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| InChI |
InChI=1S/C29H32N2O3S2/c32-35-22-29(27-13-7-8-14-28(27)35)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)36(33,34)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26-,35?/m1/s1
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| InChIKey |
IUMHTNIGQVOIEZ-CMJDGRNWSA-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