General Information of the Compound
| Compound ID |
CP0431152
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| Compound Name |
N-benzyl-N-ethyl-4-methoxy-3-[5-[(2-phenylazepan-1-yl)methyl]-1H-pyrrol-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C33H39N3O3S
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| Molecular Weight |
557.76
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| Canonical SMILES |
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(c1)-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1
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| InChI |
InChI=1S/C33H39N3O3S/c1-3-36(24-26-13-7-4-8-14-26)40(37,38)29-19-21-33(39-2)30(23-29)31-20-18-28(34-31)25-35-22-12-6-11-17-32(35)27-15-9-5-10-16-27/h4-5,7-10,13-16,18-21,23,32,34H,3,6,11-12,17,22,24-25H2,1-2H3
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| InChIKey |
ZFGRMWBYHAUOCE-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor