General Information of the Compound
| Compound ID |
CP0454732
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| Compound Name |
CHEMBL162193
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| Formula |
C26H28FN3O
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| Molecular Weight |
417.528
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| Canonical SMILES |
Fc1ccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3Cc4ccc(cc4C3)C#N)CC2)cc1
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| InChI |
InChI=1S/C26H28FN3O/c27-24-8-2-19(3-9-24)6-12-26(31)29-25-10-4-20(5-11-25)13-14-30-17-22-7-1-21(16-28)15-23(22)18-30/h1-3,6-9,12,15,20,25H,4-5,10-11,13-14,17-18H2,(H,29,31)/b12-6+/t20-,25-
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| InChIKey |
GISZCUSGSJKNJL-YRDXYIQISA-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