General Information of the Compound
| Compound ID |
CP0486016
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| Compound Name |
1-(4-{octahydro-1H-pyrido[1,2-a]piperazin-2-yl}phenyl)-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
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| Structure |
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| Formula |
C29H33N3O
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| Molecular Weight |
439.603
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| Canonical SMILES |
Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(cc1)N1CCN2CCCCC2C1
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| InChI |
InChI=1S/C29H33N3O/c33-27-13-14-28-23(20-27)15-17-32(25-6-2-1-3-7-25)29(28)22-9-11-24(12-10-22)31-19-18-30-16-5-4-8-26(30)21-31/h1-3,6-7,9-14,20,26,29,33H,4-5,8,15-19,21H2
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| InChIKey |
ZGHFWBDHZZKWSI-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