General Information of the Compound
| Compound ID |
CP0470446
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| Compound Name |
2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-di(pyridin-3-yl)ethanol
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| Structure |
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| Formula |
C23H25N3O2
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| Molecular Weight |
375.472
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| Canonical SMILES |
OC(C(N1CCCOCC1)c1ccccc1)(c1cccnc1)c1cccnc1
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| InChI |
InChI=1S/C23H25N3O2/c27-23(20-9-4-11-24-17-20,21-10-5-12-25-18-21)22(19-7-2-1-3-8-19)26-13-6-15-28-16-14-26/h1-5,7-12,17-18,22,27H,6,13-16H2
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| InChIKey |
GHXYRZWZQQDKIT-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