General Information of the Compound
| Compound ID |
CP0871712
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| Compound Name |
((3'R,4'R)-4'-hydroxy-1'-nicotinoyl-1,3'-bipiperidin-4-yl)(4-methoxyphenyl)methanone oxalate
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| Structure |
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| Formula |
C26H31N3O8
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| Molecular Weight |
513.547
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| Canonical SMILES |
COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4cccnc4)CC[C@H]3O)CC2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C24H29N3O4.C2H2O4/c1-31-20-6-4-17(5-7-20)23(29)18-8-12-26(13-9-18)21-16-27(14-10-22(21)28)24(30)19-3-2-11-25-15-19;3-1(4)2(5)6/h2-7,11,15,18,21-22,28H,8-10,12-14,16H2,1H3;(H,3,4)(H,5,6)/t21-,22-;/m1./s1
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| InChIKey |
GFXCTOCAZGPWLH-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