General Information of the Compound
| Compound ID |
CP0272971
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| Compound Name |
Benzyl-[(R)-1-(2,3,4,7-tetrahydro-pyrano[2,3-e]indol-2-yl)methyl]-amine
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| Structure |
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| Formula |
C19H20N2O
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| Molecular Weight |
292.382
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| Canonical SMILES |
C(NCc1ccccc1)[C@H]1CCc2ccc3[nH]ccc3c2O1
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| InChI |
InChI=1S/C19H20N2O/c1-2-4-14(5-3-1)12-20-13-16-8-6-15-7-9-18-17(10-11-21-18)19(15)22-16/h1-5,7,9-11,16,20-21H,6,8,12-13H2/t16-/m1/s1
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| InChIKey |
AERWLNZHDGJKMO-MRXNPFEDSA-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
Protein ID: PT01161, D(4) dopamine receptor