General Information of the Compound
| Compound ID |
CP0011940
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| Compound Name |
1-(3-(1-(azetidin-3-yl)-1H-benzo[d]imidazol-6-yl)phenoxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
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| Structure |
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| Formula |
C28H30N4O2
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| Molecular Weight |
454.574
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| Canonical SMILES |
OC(COc1cccc(c1)-c1ccc2ncn(C3CNC3)c2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C28H30N4O2/c33-25(17-31-11-10-20-4-1-2-5-23(20)16-31)18-34-26-7-3-6-21(12-26)22-8-9-27-28(13-22)32(19-30-27)24-14-29-15-24/h1-9,12-13,19,24-25,29,33H,10-11,14-18H2
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| InChIKey |
BUILFHCOJDMYMF-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