General Information of the Compound
| Compound ID |
CP0467760
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| Compound Name |
benzyl (1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6-carboxylate
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| Structure |
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| Formula |
C31H35F2NO6
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| Molecular Weight |
555.618
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| Canonical SMILES |
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1CN(C[C@@]21C(=O)CO)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C31H35F2NO6/c1-28-9-8-20(36)11-23(28)24(32)12-22-21-10-19-14-34(27(39)40-16-18-6-4-3-5-7-18)17-30(19,26(38)15-35)29(21,2)13-25(37)31(22,28)33/h3-9,11,19,21-22,24-25,35,37H,10,12-17H2,1-2H3/t19-,21-,22-,24-,25-,28-,29-,30+,31-/m0/s1
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| InChIKey |
IUXZJQJIZXIMIP-FUKCFPEZSA-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