General Information of the Compound
| Compound ID |
CP0454749
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| Compound Name |
2-(3,4-dichlorophenyl)-1-[(6R)-6-(dipropylamino)-1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol
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| Structure |
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| Formula |
C25H33Cl2NO2
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| Molecular Weight |
450.45
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| Canonical SMILES |
CCCN(CCC)[C@@H]1CCc2c(C1)ccc(C(O)Cc1ccc(Cl)c(Cl)c1)c2OC
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| InChI |
InChI=1S/C25H33Cl2NO2/c1-4-12-28(13-5-2)19-8-10-20-18(16-19)7-9-21(25(20)30-3)24(29)15-17-6-11-22(26)23(27)14-17/h6-7,9,11,14,19,24,29H,4-5,8,10,12-13,15-16H2,1-3H3/t19-,24?/m1/s1
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| InChIKey |
SNKGBCKUVWDTSB-PHSANKKPSA-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