General Information of the Compound
| Compound ID |
CP0505972
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| Compound Name |
CHEMBL349980
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| Formula |
C20H29N7
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| Molecular Weight |
367.501
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| Canonical SMILES |
C(CN1CCN(CC1)c1ncccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1
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| InChI |
InChI=1S/C20H29N7/c1-8-21-19(22-9-1)25-18-5-3-17(4-6-18)7-12-26-13-15-27(16-14-26)20-23-10-2-11-24-20/h1-2,8-11,17-18H,3-7,12-16H2,(H,21,22,25)/t17-,18-
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| InChIKey |
VFYMYMGVYBHBAW-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