General Information of the Compound
| Compound ID |
CP0912792
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| Compound Name |
((3'R,4'R)-4-(4-fluorobenzoyl)-4'-hydroxy-1,3'-bipiperidin-1'-yl)(pyridin-3-yl)methanone oxalate
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| Structure |
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| Formula |
C25H28FN3O7
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| Molecular Weight |
501.511
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| Canonical SMILES |
O=C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN([C@@H]2CN(C(=O)c3cccnc3)CC[C@H]2O)CC1
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| InChI |
InChI=1S/C23H26FN3O3.C2H2O4/c24-19-5-3-16(4-6-19)22(29)17-7-11-26(12-8-17)20-15-27(13-9-21(20)28)23(30)18-2-1-10-25-14-18;3-1(4)2(5)6/h1-6,10,14,17,20-21,28H,7-9,11-13,15H2;(H,3,4)(H,5,6)/t20-,21-;/m1./s1
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| InChIKey |
FJTFIAKHQNOXPD-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