Mrv2304 05312315522D          

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M  END
> <DATABASE_ID>
DBMET03674

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](O)C2=CC(=O)C=C[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C26H29FO8/c1-13-9-15-16-11-18(29)17-10-14(28)6-7-23(17,2)25(16,27)20(30)12-24(15,3)26(13,22(32)33)35-21(31)19-5-4-8-34-19/h4-8,10,13,15-16,18,20,29-30H,9,11-12H2,1-3H3,(H,32,33)/t13-,15+,16+,18+,20+,23+,24+,25+,26+/m1/s1

> <INCHI_KEY>
MJNRMZRKFQPTPV-VEGHOPOESA-N

> <FORMULA>
C26H29FO8

> <MOLECULAR_WEIGHT>
488.508

> <EXACT_MASS>
488.184646057

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.002970236981495799

> <JCHEM_AVERAGE_POLARIZABILITY>
48.4543900603

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-9b-fluoro-1-(furan-2-carbonyloxy)-5,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1-carboxylic acid

> <JCHEM_LOGP>
2.4939276286666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_POLAR_SURFACE_AREA>
134.26999999999998

> <JCHEM_REFRACTIVITY>
120.96799999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-9b-fluoro-1-(furan-2-carbonyloxy)-5,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-2H,3H,3aH,3bH,4H,5H,10H,11H-cyclopenta[a]phenanthrene-1-carboxylic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBMET03674

> <NAME>
M26 fluticasone furoate

$$$$