General Information of the Compound
| Compound ID |
CP0518123
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| Compound Name |
2-(Naphthalene-1-sulfonyl)-1-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-1,2,3,4-tetrahydro-isoquinolin-6-ol
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| Structure |
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| Formula |
C31H32N2O4S
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| Molecular Weight |
528.674
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| Canonical SMILES |
Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1cccc2ccccc12)c1ccc(OCCN2CCCC2)cc1
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| InChI |
InChI=1S/C31H32N2O4S/c34-26-12-15-29-25(22-26)16-19-33(38(35,36)30-9-5-7-23-6-1-2-8-28(23)30)31(29)24-10-13-27(14-11-24)37-21-20-32-17-3-4-18-32/h1-2,5-15,22,31,34H,3-4,16-21H2
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| InChIKey |
OEVPCWZBGFRZNA-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta