General Information of the Compound
| Compound ID |
CP0924799
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| Compound Name |
(3R)-1-(3-((2,3-dimethylphenyl)(o-tolyl)methylthio)propyl)piperidine-3-carboxylic acid hydrochloride
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| Structure |
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| Formula |
C25H34ClNO2S
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| Molecular Weight |
448.072
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| Canonical SMILES |
Cc1ccccc1C(SCCCN1CCC[C@@H](C(=O)O)C1)c1cccc(C)c1C.Cl
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| InChI |
InChI=1S/C25H33NO2S.ClH/c1-18-10-6-13-23(20(18)3)24(22-12-5-4-9-19(22)2)29-16-8-15-26-14-7-11-21(17-26)25(27)28;/h4-6,9-10,12-13,21,24H,7-8,11,14-17H2,1-3H3,(H,27,28);1H/t21-,24?;/m1./s1
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| InChIKey |
FVIVZNYFUILMGY-TXMHOICOSA-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