General Information of the Compound
| Compound ID |
CP0961956
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| Compound Name |
rac-1-(4-fluorophenyl)-N-(3-(4-fluorophenyl)-2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propyl)cyclopentanecarboxamide
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| Structure |
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| Formula |
C28H34F2N2O2
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| Molecular Weight |
468.588
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| Canonical SMILES |
O=C(NCC(Cc1ccc(F)cc1)N1CCC2(CC1)COC2)C1(c2ccc(F)cc2)CCCC1
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| InChI |
InChI=1S/C28H34F2N2O2/c29-23-7-3-21(4-8-23)17-25(32-15-13-27(14-16-32)19-34-20-27)18-31-26(33)28(11-1-2-12-28)22-5-9-24(30)10-6-22/h3-10,25H,1-2,11-20H2,(H,31,33)
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| InChIKey |
WEPCSTDZJUIXJH-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