General Information of the Compound
| Compound ID |
CP0461345
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| Compound Name |
1-((3S,4S)-1-Benzenesulfonyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-phenyl-piperidine
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| Structure |
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| Formula |
C28H32N2O2S
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| Molecular Weight |
460.643
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| Canonical SMILES |
O=S(=O)(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H32N2O2S/c31-33(32,27-14-8-3-9-15-27)30-21-26(28(22-30)25-12-6-2-7-13-25)20-29-18-16-24(17-19-29)23-10-4-1-5-11-23/h1-15,24,26,28H,16-22H2/t26-,28+/m0/s1
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| InChIKey |
WNJMESXYCKJYEA-XTEPFMGCSA-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