General Information of the Compound
| Compound ID |
CP0945778
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| Compound Name |
((3'R,4'R)-1'-benzoyl-4'-hydroxy-1,3'-bipiperidin-4-yl)(4-fluorophenyl)methanone oxalate
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| Structure |
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| Formula |
C26H29FN2O7
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| Molecular Weight |
500.523
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| Canonical SMILES |
O=C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN([C@@H]2CN(C(=O)c3ccccc3)CC[C@H]2O)CC1
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| InChI |
InChI=1S/C24H27FN2O3.C2H2O4/c25-20-8-6-17(7-9-20)23(29)18-10-13-26(14-11-18)21-16-27(15-12-22(21)28)24(30)19-4-2-1-3-5-19;3-1(4)2(5)6/h1-9,18,21-22,28H,10-16H2;(H,3,4)(H,5,6)/t21-,22-;/m1./s1
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| InChIKey |
LTQTZBIQEOEKKY-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