General Information of the Compound
| Compound ID |
CP0879070
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| Compound Name |
((3'R,4'R)-3'-hydroxy-1'-(5-methylthiophene-2-carbonyl)-1,4'-bipiperidin-4-yl)(4-methoxyphenyl)methanone oxalate
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| Structure |
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| Formula |
C26H32N2O8S
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| Molecular Weight |
532.615
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| Canonical SMILES |
COc1ccc(C(=O)C2CCN([C@@H]3CCN(C(=O)c4ccc(C)s4)C[C@H]3O)CC2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C24H30N2O4S.C2H2O4/c1-16-3-8-22(31-16)24(29)26-14-11-20(21(27)15-26)25-12-9-18(10-13-25)23(28)17-4-6-19(30-2)7-5-17;3-1(4)2(5)6/h3-8,18,20-21,27H,9-15H2,1-2H3;(H,3,4)(H,5,6)/t20-,21-;/m1./s1
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| InChIKey |
QUWFWYSXOTZVOB-MUCZFFFMSA-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