General Information of the Compound
| Compound ID |
CP0126977
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| Compound Name |
1-(8-(2,5-Dimethylphenyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine
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| Structure |
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| Formula |
C27H30N2S
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| Molecular Weight |
414.618
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| Canonical SMILES |
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1c(C)cccc1C
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| InChI |
InChI=1S/C27H30N2S/c1-19-7-6-8-20(2)27(19)22-11-12-26-23(17-22)24(29-15-13-28(3)14-16-29)18-21-9-4-5-10-25(21)30-26/h4-12,17,24H,13-16,18H2,1-3H3
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| InChIKey |
KQRHCJXCCFJNQW-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: PT02060, Alpha-1A adrenergic receptor
Protein ID: PT01005, D(2) dopamine receptor