General Information of the Compound
| Compound ID |
CP0492432
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| Compound Name |
2-benzyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole-8-carbonitrile
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| Structure |
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| Formula |
C20H20N2
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| Molecular Weight |
288.394
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| Canonical SMILES |
N#Cc1ccc2CCC3CN(Cc4ccccc4)CC3c2c1
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| InChI |
InChI=1S/C20H20N2/c21-11-16-6-7-17-8-9-18-13-22(14-20(18)19(17)10-16)12-15-4-2-1-3-5-15/h1-7,10,18,20H,8-9,12-14H2
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| InChIKey |
NKONARVCMJMDHP-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