General Information of the Compound
| Compound ID |
CP0374756
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| Compound Name |
CHEMBL166151
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| Formula |
C21H30N6
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| Molecular Weight |
366.513
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| Canonical SMILES |
C(CN1CCN(CC1)c1ccncc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1
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| InChI |
InChI=1S/C21H30N6/c1-9-23-21(24-10-1)25-19-4-2-18(3-5-19)8-13-26-14-16-27(17-15-26)20-6-11-22-12-7-20/h1,6-7,9-12,18-19H,2-5,8,13-17H2,(H,23,24,25)/t18-,19-
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| InChIKey |
SBJAROVNDHTDKY-WGSAOQKQSA-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