General Information of the Compound
| Compound ID |
CP0862998
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| Compound Name |
((3'R,4'R)-4-(4-fluorobenzoyl)-4'-hydroxy-1,3'-bipiperidin-1'-yl)(4-methoxyphenyl)methanone oxalate
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| Structure |
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| Formula |
C27H31FN2O8
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| Molecular Weight |
530.549
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| Canonical SMILES |
COc1ccc(C(=O)N2CC[C@@H](O)[C@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H29FN2O4.C2H2O4/c1-32-21-8-4-19(5-9-21)25(31)28-15-12-23(29)22(16-28)27-13-10-18(11-14-27)24(30)17-2-6-20(26)7-3-17;3-1(4)2(5)6/h2-9,18,22-23,29H,10-16H2,1H3;(H,3,4)(H,5,6)/t22-,23-;/m1./s1
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| InChIKey |
GQKPPNYMKAQYBG-OHIDFYLOSA-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