General Information of the Compound
| Compound ID |
CP0310369
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| Compound Name |
(11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl butylcarbamate
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| Structure |
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| Formula |
C27H38FNO6
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| Molecular Weight |
491.6
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| Canonical SMILES |
CCCCNC(=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/C27H38FNO6/c1-5-6-11-29-23(34)35-27(22(33)15-30)16(2)12-20-19-8-7-17-13-18(31)9-10-24(17,3)26(19,28)21(32)14-25(20,27)4/h9-10,13,16,19-21,30,32H,5-8,11-12,14-15H2,1-4H3,(H,29,34)/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
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| InChIKey |
RNTNTIYBIMXUFF-SUYDQAKGSA-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