General Information of the Compound
| Compound ID |
CP0523550
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| Compound Name |
4-[[2-[(2R)-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C19H18F2N8O2
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| Molecular Weight |
428.403
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1noc(n1)C(F)F
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| InChI |
InChI=1S/C19H18F2N8O2/c1-12-10-28(19-26-17(16(20)21)31-27-19)4-5-29(12)18-24-8-15(9-25-18)30-11-13-2-3-23-7-14(13)6-22/h2-3,7-9,12,16H,4-5,10-11H2,1H3/t12-/m1/s1
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| InChIKey |
XBLVKULFUQTLPO-GFCCVEGCSA-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