General Information of the Compound
| Compound ID |
CP0396211
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| Compound Name |
2-butyl-3,4-dihydro-1H-isoquinoline-6-carbonitrile
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| Structure |
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| Formula |
C14H18N2
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| Molecular Weight |
214.312
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| Canonical SMILES |
CCCCN1CCc2cc(ccc2C1)C#N
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| InChI |
InChI=1S/C14H18N2/c1-2-3-7-16-8-6-13-9-12(10-15)4-5-14(13)11-16/h4-5,9H,2-3,6-8,11H2,1H3
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| InChIKey |
GRSMDZFQRIQAGW-UHFFFAOYSA-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