General Information of the Compound
| Compound ID |
CP0486407
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| Compound Name |
CHEMBL165664
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| Formula |
C21H29N5
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| Molecular Weight |
351.498
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| Canonical SMILES |
C([C@H]1CC[C@@H](CC1)Nc1ncccn1)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C21H29N5/c1-2-5-20(6-3-1)26-15-13-25(14-16-26)17-18-7-9-19(10-8-18)24-21-22-11-4-12-23-21/h1-6,11-12,18-19H,7-10,13-17H2,(H,22,23,24)/t18-,19-
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| InChIKey |
WQFGYARLKCXPCQ-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