General Information of the Compound
| Compound ID |
CP0429682
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| Compound Name |
(4S)-4-[[4-methyl-6-[5-[2-methyl-6-(2-methylpropyl)pyridin-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-3-yl]oxymethyl]-1,3-oxazolidin-2-one
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| Structure |
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| Formula |
C22H25N5O4
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| Molecular Weight |
423.473
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| Canonical SMILES |
CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@H]2COC(=O)N2)cn1
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| InChI |
InChI=1S/C22H25N5O4/c1-12(2)5-16-8-15(7-14(4)24-16)21-26-20(27-31-21)18-6-13(3)19(9-23-18)29-10-17-11-30-22(28)25-17/h6-9,12,17H,5,10-11H2,1-4H3,(H,25,28)/t17-/m0/s1
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| InChIKey |
PWFGRQALJMGJSS-KRWDZBQOSA-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