General Information of the Compound
| Compound ID |
CP0461007
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| Compound Name |
CHEMBL165689
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| Formula |
C20H29N7
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| Molecular Weight |
367.501
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| Canonical SMILES |
C(CN1CCN(CC1)c1cnccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1
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| InChI |
InChI=1S/C20H29N7/c1-7-23-20(24-8-1)25-18-4-2-17(3-5-18)6-11-26-12-14-27(15-13-26)19-16-21-9-10-22-19/h1,7-10,16-18H,2-6,11-15H2,(H,23,24,25)/t17-,18-
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| InChIKey |
JEEXKVNFXCLLCQ-IYARVYRRSA-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