General Information of the Compound
| Compound ID |
CP0870323
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| Compound Name |
(2R)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one
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| Structure |
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| Formula |
C20H21FN2O2
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| Molecular Weight |
340.398
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| Canonical SMILES |
O=C1C[C@H](CN2CCN(c3ccc(F)cc3)CC2)Oc2ccccc21
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| InChI |
InChI=1S/C20H21FN2O2/c21-15-5-7-16(8-6-15)23-11-9-22(10-12-23)14-17-13-19(24)18-3-1-2-4-20(18)25-17/h1-8,17H,9-14H2/t17-/m1/s1
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| InChIKey |
PBUXIMRNEAZEBK-QGZVFWFLSA-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