General Information of the Compound
| Compound ID |
CP0476664
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| Compound Name |
(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
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| Structure |
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| Formula |
C21H23ClN6O2
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| Molecular Weight |
426.908
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| Canonical SMILES |
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1
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| InChI |
InChI=1S/C21H23ClN6O2/c1-13(2)18-11-30-21(29)28(18)19-8-9-23-20(26-19)25-14(3)17-10-27(12-24-17)16-6-4-15(22)5-7-16/h4-10,12-14,18H,11H2,1-3H3,(H,23,25,26)/t14-,18+/m0/s1
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| InChIKey |
HJTAFYHHKFUWOH-KBXCAEBGSA-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