General Information of the Compound
| Compound ID |
CP0382235
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| Compound Name |
(2S)-2-methyl-1-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine
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| Structure |
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| Formula |
C16H25N
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| Molecular Weight |
231.383
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| Canonical SMILES |
C[C@H]1CCCN1CCc1c(C)cc(C)cc1C
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| InChI |
InChI=1S/C16H25N/c1-12-10-13(2)16(14(3)11-12)7-9-17-8-5-6-15(17)4/h10-11,15H,5-9H2,1-4H3/t15-/m0/s1
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| InChIKey |
QBCRKTLSCLLIPY-HNNXBMFYSA-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