General Information of the Compound
| Compound ID |
CP0082155
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| Compound Name |
(-)-1-Methyl-4-(8-methylsulfanyl-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-piperazine
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| Structure |
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| Formula |
C20H24N2S2
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| Molecular Weight |
356.56
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| Canonical SMILES |
CSc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1
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| InChI |
InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/t18-/m0/s1
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| InChIKey |
RLJFTICUTYVZDG-SFHVURJKSA-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