General Information of the Compound
| Compound ID |
CP0953956
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| Compound Name |
((3'R,4'R)-3'-hydroxy-1'-(thiophene-2-carbonyl)-1,4'-bipiperidin-4-yl)(4-methoxyphenyl)methanone oxalate
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| Structure |
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| Formula |
C25H30N2O8S
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| Molecular Weight |
518.588
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| Canonical SMILES |
COc1ccc(C(=O)C2CCN([C@@H]3CCN(C(=O)c4cccs4)C[C@H]3O)CC2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C23H28N2O4S.C2H2O4/c1-29-18-6-4-16(5-7-18)22(27)17-8-11-24(12-9-17)19-10-13-25(15-20(19)26)23(28)21-3-2-14-30-21;3-1(4)2(5)6/h2-7,14,17,19-20,26H,8-13,15H2,1H3;(H,3,4)(H,5,6)/t19-,20-;/m1./s1
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| InChIKey |
CVITYAJOWNFZMN-GZJHNZOKSA-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