General Information of the Compound
| Compound ID |
CP0269642
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| Compound Name |
(11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl (1S)-1-(methoxycarbonyl)-ethylcarbamate
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| Structure |
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| Formula |
C27H36FNO8
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| Molecular Weight |
521.582
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| Canonical SMILES |
COC(=O)[C@H](C)NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
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| InChI |
InChI=1S/C27H36FNO8/c1-14-10-19-18-7-6-16-11-17(31)8-9-24(16,3)26(18,28)20(32)12-25(19,4)27(14,21(33)13-30)37-23(35)29-15(2)22(34)36-5/h8-9,11,14-15,18-20,30,32H,6-7,10,12-13H2,1-5H3,(H,29,35)/t14-,15-,18-,19-,20-,24-,25-,26-,27-/m0/s1
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| InChIKey |
ULVLQZXXCFFHAG-BLOJOWGUSA-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
Protein ID: PT00848, Interstitial collagenase
Protein ID: PT06942, Tyrosine aminotransferase