General Information of the Compound
| Compound ID |
CP0110657
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| Compound Name |
1-[6-[(3R,4R)-3-amino-4-(2,4,5-trifluorophenyl)piperidin-1-yl]pyridin-3-yl]-4-phenylmethoxypyridin-2-one
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| Structure |
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| Formula |
C28H25F3N4O2
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| Molecular Weight |
506.528
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| Canonical SMILES |
N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C28H25F3N4O2/c29-23-14-25(31)24(30)13-22(23)21-9-10-34(16-26(21)32)27-7-6-19(15-33-27)35-11-8-20(12-28(35)36)37-17-18-4-2-1-3-5-18/h1-8,11-15,21,26H,9-10,16-17,32H2/t21-,26+/m1/s1
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| InChIKey |
OFKFNGSBLPQTPU-RLWLMLJZSA-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