General Information of the Compound
| Compound ID |
CP0877878
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| Compound Name |
((3'R,4'R)-4-(4-fluorobenzoyl)-3'-hydroxy-1,4'-bipiperidin-1'-yl)(3-methylthiophen-2-yl)methanone oxalate
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| Structure |
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| Formula |
C25H29FN2O7S
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| Molecular Weight |
520.579
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| Canonical SMILES |
Cc1ccsc1C(=O)N1CC[C@@H](N2CCC(C(=O)c3ccc(F)cc3)CC2)[C@H](O)C1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C23H27FN2O3S.C2H2O4/c1-15-9-13-30-22(15)23(29)26-12-8-19(20(27)14-26)25-10-6-17(7-11-25)21(28)16-2-4-18(24)5-3-16;3-1(4)2(5)6/h2-5,9,13,17,19-20,27H,6-8,10-12,14H2,1H3;(H,3,4)(H,5,6)/t19-,20-;/m1./s1
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| InChIKey |
PLAZRMKLMUBNPD-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