General Information of the Compound
| Compound ID |
CP0398688
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| Compound Name |
N-[4-[2-[[3-(benzenesulfonyl)-6,7-dihydrocyclobuta[e]indol-7-yl]methyl-methylamino]ethyl]phenyl]acetamide
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| Structure |
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| Formula |
C28H29N3O3S
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| Molecular Weight |
487.625
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| Canonical SMILES |
CN(CCc1ccc(NC(C)=O)cc1)CC1Cc2ccc3n(ccc3c12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C28H29N3O3S/c1-20(32)29-24-11-8-21(9-12-24)14-16-30(2)19-23-18-22-10-13-27-26(28(22)23)15-17-31(27)35(33,34)25-6-4-3-5-7-25/h3-13,15,17,23H,14,16,18-19H2,1-2H3,(H,29,32)
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| InChIKey |
FVSOIPSTCDDDHQ-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor