General Information of the Compound
| Compound ID |
CP0285811
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| Compound Name |
(11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl cyclopentylcarbamate
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| Structure |
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| Formula |
C28H38FNO6
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| Molecular Weight |
503.611
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| Canonical SMILES |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC1CCCC1)C(=O)CO
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| InChI |
InChI=1S/C28H38FNO6/c1-16-12-21-20-9-8-17-13-19(32)10-11-25(17,2)27(20,29)22(33)14-26(21,3)28(16,23(34)15-31)36-24(35)30-18-6-4-5-7-18/h10-11,13,16,18,20-22,31,33H,4-9,12,14-15H2,1-3H3,(H,30,35)/t16-,20-,21-,22-,25-,26-,27-,28-/m0/s1
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| InChIKey |
BYNRBGYHTUTBBA-QEVRMTOFSA-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