General Information of the Compound
| Compound ID |
CP0448943
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| Compound Name |
3-Allyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole-6-carbonitrile
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| Structure |
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| Formula |
C16H18N2
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| Molecular Weight |
238.334
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| Canonical SMILES |
C=CCN1CCC2C1CCc1c(cccc21)C#N
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| InChI |
InChI=1S/C16H18N2/c1-2-9-18-10-8-15-14-5-3-4-12(11-17)13(14)6-7-16(15)18/h2-5,15-16H,1,6-10H2
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| InChIKey |
ZOXQOLDAOFYVMZ-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