General Information of the Compound
| Compound ID |
CP0398029
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| Compound Name |
CHEMBL165140
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| Formula |
C23H33N5
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| Molecular Weight |
379.552
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| Canonical SMILES |
C(C[C@H]1CC[C@@H](CC1)Nc1ncccn1)CN1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C23H33N5/c1-2-7-22(8-3-1)28-18-16-27(17-19-28)15-4-6-20-9-11-21(12-10-20)26-23-24-13-5-14-25-23/h1-3,5,7-8,13-14,20-21H,4,6,9-12,15-19H2,(H,24,25,26)/t20-,21-
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| InChIKey |
GXOXNWXNCBKFTM-MEMLXQNLSA-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