General Information of the Compound
| Compound ID |
CP0448546
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| Compound Name |
CHEMBL2368633
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| Formula |
C29H39ClN2O5S
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| Molecular Weight |
563.16
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| Canonical SMILES |
Cl.COc1ccccc1\C=C\C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
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| InChI |
InChI=1S/C29H38N2O5S.ClH/c1-35-28-6-4-3-5-24(28)10-14-29(32)30-26-11-7-22(8-12-26)15-18-31-19-16-23-9-13-27(36-37(2,33)34)21-25(23)17-20-31;/h3-6,9-10,13-14,21-22,26H,7-8,11-12,15-20H2,1-2H3,(H,30,32);1H/b14-10+;/t22-,26-;
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| InChIKey |
HPDNVZKGADAYFK-WDILRFRFSA-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