General Information of the Compound
| Compound ID |
CP0454598
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| Compound Name |
2-(4-chlorophenyl)-1-[(5S,6R)-6-(dipropylamino)-1-methoxy-5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol
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| Structure |
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| Formula |
C26H36ClNO2
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| Molecular Weight |
430.032
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| Canonical SMILES |
CCCN(CCC)[C@@H]1CCc2c(ccc(C(O)Cc3ccc(Cl)cc3)c2OC)[C@@H]1C
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| InChI |
InChI=1S/C26H36ClNO2/c1-5-15-28(16-6-2)24-14-13-22-21(18(24)3)11-12-23(26(22)30-4)25(29)17-19-7-9-20(27)10-8-19/h7-12,18,24-25,29H,5-6,13-17H2,1-4H3/t18-,24+,25?/m0/s1
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| InChIKey |
ZSHABDJGHVJYOC-HKNRPGJNSA-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