General Information of the Compound
| Compound ID |
CP0505752
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| Compound Name |
(3aS,9bR)-2-benzyl-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile
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| Structure |
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| Formula |
C19H18N2O
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| Molecular Weight |
290.366
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| Canonical SMILES |
N#Cc1ccc2OC[C@@H]3CN(Cc4ccccc4)C[C@H]3c2c1
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| InChI |
InChI=1S/C19H18N2O/c20-9-15-6-7-19-17(8-15)18-12-21(11-16(18)13-22-19)10-14-4-2-1-3-5-14/h1-8,16,18H,10-13H2/t16-,18+/m0/s1
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| InChIKey |
JLHYDFVXCXCPKN-FUHWJXTLSA-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