General Information of the Compound
| Compound ID |
CP0924800
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| Compound Name |
(R)-1-(3-(dip-tolylmethylthio)propyl)piperidine-3-carboxylic acid hydrochloride
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| Structure |
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| Formula |
C24H32ClNO2S
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| Molecular Weight |
434.045
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| Canonical SMILES |
Cc1ccc(C(SCCCN2CCC[C@@H](C(=O)O)C2)c2ccc(C)cc2)cc1.Cl
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| InChI |
InChI=1S/C24H31NO2S.ClH/c1-18-6-10-20(11-7-18)23(21-12-8-19(2)9-13-21)28-16-4-15-25-14-3-5-22(17-25)24(26)27;/h6-13,22-23H,3-5,14-17H2,1-2H3,(H,26,27);1H/t22-;/m1./s1
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| InChIKey |
UPUBDHGVUMXDRX-VZYDHVRKSA-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