General Information of the Compound
| Compound ID |
CP0378036
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| Compound Name |
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
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| Structure |
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| Formula |
C30H35N3O2
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| Molecular Weight |
469.629
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| Canonical SMILES |
Oc1ccc2C(N(CCc2c1)c1cccc(O)c1)c1ccc(cc1)N1CCN(CC1)C1CCCC1
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| InChI |
InChI=1S/C30H35N3O2/c34-27-7-3-6-26(21-27)33-15-14-23-20-28(35)12-13-29(23)30(33)22-8-10-25(11-9-22)32-18-16-31(17-19-32)24-4-1-2-5-24/h3,6-13,20-21,24,30,34-35H,1-2,4-5,14-19H2
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| InChIKey |
JJRHZGGFNFBSQM-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