General Information of the Compound
| Compound ID |
CP0421247
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| Compound Name |
1-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
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| Structure |
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| Formula |
C31H37N3O2
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| Molecular Weight |
483.656
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| Canonical SMILES |
Oc1cccc(c1)N1CCc2cc(O)ccc2C1c1ccc(cc1)N1CCN(CC1)C1CCCCC1
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| InChI |
InChI=1S/C31H37N3O2/c35-28-8-4-7-27(22-28)34-16-15-24-21-29(36)13-14-30(24)31(34)23-9-11-26(12-10-23)33-19-17-32(18-20-33)25-5-2-1-3-6-25/h4,7-14,21-22,25,31,35-36H,1-3,5-6,15-20H2
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| InChIKey |
NYTXFAONXOFVQE-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