General Information of the Compound
| Compound ID |
CP0932943
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| Compound Name |
3,3-Diphenyl-1-[4-(9H-xanthen-9-yl)-piperazin-1-yl]-propan-1-one
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| Structure |
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| Formula |
C32H30N2O2
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| Molecular Weight |
474.604
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| Canonical SMILES |
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C2c3ccccc3Oc3ccccc32)CC1
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| InChI |
InChI=1S/C32H30N2O2/c35-31(23-28(24-11-3-1-4-12-24)25-13-5-2-6-14-25)33-19-21-34(22-20-33)32-26-15-7-9-17-29(26)36-30-18-10-8-16-27(30)32/h1-18,28,32H,19-23H2
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| InChIKey |
NGKMUDNJYNMZFO-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