General Information of the Compound
| Compound ID |
CP0578777
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| Compound Name |
(2S)-3-methyl-2-[[2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]butanamide
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| Structure |
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| Formula |
C20H22F3N5O4
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| Molecular Weight |
453.421
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| Canonical SMILES |
CC(C)[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)(F)F)C(N)=O
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| InChI |
InChI=1S/C20H22F3N5O4/c1-10(2)16(17(24)29)25-11-3-4-12-13(7-11)31-6-5-27-8-15(26-18(12)27)28-14(20(21,22)23)9-32-19(28)30/h3-4,7-8,10,14,16,25H,5-6,9H2,1-2H3,(H2,24,29)/t14-,16-/m0/s1
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| InChIKey |
IPOBYMPJYDLLHC-HOCLYGCPSA-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