General Information of the Compound
| Compound ID |
CP0930877
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| Compound Name |
1-[2-(2,4-Dimethyl-phenylsulfanyl)-phenyl]-[1,4]diazepane Hydrochloride
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| Structure |
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| Formula |
C19H25ClN2S
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| Molecular Weight |
348.943
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| Canonical SMILES |
Cc1ccc(Sc2ccccc2N2CCCNCC2)c(C)c1.Cl
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| InChI |
InChI=1S/C19H24N2S.ClH/c1-15-8-9-18(16(2)14-15)22-19-7-4-3-6-17(19)21-12-5-10-20-11-13-21;/h3-4,6-9,14,20H,5,10-13H2,1-2H3;1H
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| InChIKey |
HJUJYONTBWEAKN-UHFFFAOYSA-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A