General Information of the Compound
| Compound ID |
CP0069161
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| Compound Name |
4-(3-(Methylamino)-1-phenylpropyl)-6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol
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| Structure |
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| Formula |
C26H32N2O2
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| Molecular Weight |
404.554
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| Canonical SMILES |
CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12
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| InChI |
InChI=1S/C26H32N2O2/c1-27-14-13-22(20-7-3-2-4-8-20)23-11-12-26(29)24-10-9-21(19-25(23)24)30-18-17-28-15-5-6-16-28/h2-4,7-12,19,22,27,29H,5-6,13-18H2,1H3
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| InChIKey |
ZXMRPSJTSMBYHQ-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