General Information of the Compound
| Compound ID |
CP0466074
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| Compound Name |
CHEMBL2113358
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| Formula |
C30H38ClN3O4S
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| Molecular Weight |
572.171
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| Canonical SMILES |
Cl.Cc1cc(C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)c2ccccc2n1
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| InChI |
InChI=1S/C30H37N3O4S.ClH/c1-21-19-28(27-5-3-4-6-29(27)31-21)30(34)32-25-10-7-22(8-11-25)13-16-33-17-14-23-9-12-26(37-38(2,35)36)20-24(23)15-18-33;/h3-6,9,12,19-20,22,25H,7-8,10-11,13-18H2,1-2H3,(H,32,34);1H/t22-,25-;
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| InChIKey |
FTZCQBWRLSISAD-PCHOJKRLSA-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