General Information of the Compound
| Compound ID |
CP0574855
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| Compound Name |
(2S)-6-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-2-methyl-12-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxylic acid
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| Structure |
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| Formula |
C20H23N3O4
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| Molecular Weight |
369.421
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| Canonical SMILES |
C[C@H]1COc2c(ccc3cc(C(O)=O)c(=O)n1c23)N1CC[C@H](C1)C1(N)CC1
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| InChI |
InChI=1S/C20H23N3O4/c1-11-10-27-17-15(22-7-4-13(9-22)20(21)5-6-20)3-2-12-8-14(19(25)26)18(24)23(11)16(12)17/h2-3,8,11,13H,4-7,9-10,21H2,1H3,(H,25,26)/t11-,13+/m0/s1
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| InChIKey |
XMQUOXNOZPUALZ-WCQYABFASA-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