General Information of the Compound
| Compound ID |
CP0421365
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| Compound Name |
2-(3-hydroxyphenyl)-1-{4-[4-(2-methylpropyl)piperazin-1-yl]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
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| Structure |
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| Formula |
C29H35N3O2
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| Molecular Weight |
457.618
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| Canonical SMILES |
CC(C)CN1CCN(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(O)c1
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| InChI |
InChI=1S/C29H35N3O2/c1-21(2)20-30-14-16-31(17-15-30)24-8-6-22(7-9-24)29-28-11-10-27(34)18-23(28)12-13-32(29)25-4-3-5-26(33)19-25/h3-11,18-19,21,29,33-34H,12-17,20H2,1-2H3
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| InChIKey |
KOYKOWFMIFLPJS-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