General Information of the Compound
| Compound ID |
CP0436823
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| Compound Name |
2-benzyl-8-chloro-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
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| Structure |
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| Formula |
C18H18ClNO
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| Molecular Weight |
299.801
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| Canonical SMILES |
Clc1ccc2OCC3CN(Cc4ccccc4)CC3c2c1
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| InChI |
InChI=1S/C18H18ClNO/c19-15-6-7-18-16(8-15)17-11-20(10-14(17)12-21-18)9-13-4-2-1-3-5-13/h1-8,14,17H,9-12H2
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| InChIKey |
BVNLTQWFLUIWRX-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