General Information of the Compound
| Compound ID |
CP0461446
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| Compound Name |
(2R)-6-[2-(4-chlorophenyl)ethyl]-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
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| Structure |
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| Formula |
C25H34ClNO
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| Molecular Weight |
400.006
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| Canonical SMILES |
CCCN(CCC)[C@@H]1CCc2c(C1)ccc(CCc1ccc(Cl)cc1)c2OC
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| InChI |
InChI=1S/C25H34ClNO/c1-4-16-27(17-5-2)23-14-15-24-21(18-23)11-10-20(25(24)28-3)9-6-19-7-12-22(26)13-8-19/h7-8,10-13,23H,4-6,9,14-18H2,1-3H3/t23-/m1/s1
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| InChIKey |
NWSXNSLKBWYNLE-HSZRJFAPSA-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