Mrv1909 02062022412D          

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M  END
> <DATABASE_ID>
DB02703

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]12C[C@@H](O)[C@@]3([H])[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@]4([H])CC[C@]3(C)[C@@]1(C)C[C@H](OC(C)=O)\C2=C(\CCC=C(C)C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1

> <INCHI_KEY>
IECPWNUMDGFDKC-MZJAQBGESA-N

> <FORMULA>
C31H48O6

> <MOLECULAR_WEIGHT>
516.7092

> <EXACT_MASS>
516.345089268

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.9971558830783126

> <JCHEM_AVERAGE_POLARIZABILITY>
59.7645621351772

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(1Z,2S,3aS,3bS,5aS,6S,7R,9aS,9bS,10R,11aR)-2-(acetyloxy)-7,10-dihydroxy-3a,3b,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ylidene]-6-methylhept-5-enoic acid

> <ALOGPS_LOGP>
4.97

> <JCHEM_LOGP>
4.4219138163333325

> <ALOGPS_LOGS>
-5.00

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
18.892605767976843

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.455184945090332

> <JCHEM_PKA_STRONGEST_BASIC>
-0.20032296332015048

> <JCHEM_POLAR_SURFACE_AREA>
104.06

> <JCHEM_REFRACTIVITY>
144.1233

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.21e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cefazolin sodium

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB02703

> <SECONDARY_ACCESSION_NUMBERS>
EXPT01507

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Fusidic acid

> <SYNONYMS>
Acide fusidique; Acido fusidico; Acidum fusidicum; Fucidate; Fucidin acid; Fusidate; Fusidic acid; Fusidine; Ramycin

> <PRODUCTS>
Fucibet; Fucidin; Fucidin Cream 2%; Fucidin Film Coated Tab 250mg; Fucidin H; Fucidin Intertulle 2%; Fucidin Leo Injection Kit; Fucidin Leo Sus 246mg/5ml; Fucidin Ointment 2%; Fucithalmic; Taro-fusidic Acid

> <INTERNATIONAL_BRANDS>
Fucidine; Fudic; Taksta

> <SALTS>
Fucidate sodium; Fusidic acid hemihydrate

$$$$