General Information of the Compound
| Compound ID |
CP0574858
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| Compound Name |
(2S)-6-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-7-fluoro-2-methyl-12-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylic acid
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| Structure |
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| Formula |
C21H21FN4O4
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| Molecular Weight |
412.421
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| Canonical SMILES |
C[C@H]1COc2c(N3CC[C@H](C3)C3(N)CC3)c(F)c(C#N)c3cc(C(O)=O)c(=O)n1c23
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| InChI |
InChI=1S/C21H21FN4O4/c1-10-9-30-18-16-12(6-13(20(28)29)19(27)26(10)16)14(7-23)15(22)17(18)25-5-2-11(8-25)21(24)3-4-21/h6,10-11H,2-5,8-9,24H2,1H3,(H,28,29)/t10-,11+/m0/s1
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| InChIKey |
QKDOIDYWVJONBD-WDEREUQCSA-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