General Information of the Compound
| Compound ID |
CP0467619
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| Compound Name |
CHEMBL351300
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| Formula |
C25H28BrFN2O
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| Molecular Weight |
471.414
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| Canonical SMILES |
Fc1ccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3Cc4ccc(Br)cc4C3)CC2)cc1
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| InChI |
InChI=1S/C25H28BrFN2O/c26-22-7-6-20-16-29(17-21(20)15-22)14-13-19-3-10-24(11-4-19)28-25(30)12-5-18-1-8-23(27)9-2-18/h1-2,5-9,12,15,19,24H,3-4,10-11,13-14,16-17H2,(H,28,30)/b12-5+/t19-,24-
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| InChIKey |
KZHRZLVMRCWAML-PKWGFICBSA-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