General Information of the Compound
| Compound ID |
CP0466921
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| Compound Name |
CHEMBL164723
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| Formula |
C21H30N6
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| Molecular Weight |
366.513
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| Canonical SMILES |
C(CN1CCN(CC1)c1cccnc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1
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| InChI |
InChI=1S/C21H30N6/c1-3-20(17-22-9-1)27-15-13-26(14-16-27)12-8-18-4-6-19(7-5-18)25-21-23-10-2-11-24-21/h1-3,9-11,17-19H,4-8,12-16H2,(H,23,24,25)/t18-,19-
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| InChIKey |
SIDPGTZGVQNXLM-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