General Information of the Compound
| Compound ID |
CP0926280
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| Compound Name |
((3'R,4'R)-4'-hydroxy-1,3'-bipiperidine-1',4-diyl)bis((4-fluorophenyl)methanone)oxalate
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| Structure |
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| Formula |
C26H28F2N2O7
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| Molecular Weight |
518.513
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| Canonical SMILES |
O=C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN([C@@H]2CN(C(=O)c3ccc(F)cc3)CC[C@H]2O)CC1
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| InChI |
InChI=1S/C24H26F2N2O3.C2H2O4/c25-19-5-1-16(2-6-19)23(30)17-9-12-27(13-10-17)21-15-28(14-11-22(21)29)24(31)18-3-7-20(26)8-4-18;3-1(4)2(5)6/h1-8,17,21-22,29H,9-15H2;(H,3,4)(H,5,6)/t21-,22-;/m1./s1
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| InChIKey |
AMSJUDAGEJQOBX-HLUKFBSCSA-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