General Information of the Compound
| Compound ID |
CP0448632
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| Compound Name |
4-methoxy-N-methyl-N-phenyl-3-[5-[[(2R)-2-phenylazepan-1-yl]methyl]-1H-pyrrol-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C31H35N3O3S
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| Molecular Weight |
529.706
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| Canonical SMILES |
COc1ccc(cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1)S(=O)(=O)N(C)c1ccccc1
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| InChI |
InChI=1S/C31H35N3O3S/c1-33(26-14-8-4-9-15-26)38(35,36)27-18-20-31(37-2)28(22-27)29-19-17-25(32-29)23-34-21-11-5-10-16-30(34)24-12-6-3-7-13-24/h3-4,6-9,12-15,17-20,22,30,32H,5,10-11,16,21,23H2,1-2H3/t30-/m1/s1
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| InChIKey |
WLLDCVHJRCZONV-SSEXGKCCSA-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