Mrv0541 08221314182D          

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M  END
> <DATABASE_ID>
DBSALT000776

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3

> <INCHI_KEY>
VIQCGTZFEYDQMR-UHFFFAOYSA-N

> <FORMULA>
C32H44F3N3O2S

> <MOLECULAR_WEIGHT>
591.771

> <EXACT_MASS>
591.310632972

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.6941000563666617

> <JCHEM_AVERAGE_POLARIZABILITY>
66.10825009579675

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl decanoate

> <ALOGPS_LOGP>
7.25

> <JCHEM_LOGP>
8.219463526999998

> <ALOGPS_LOGS>
-6.38

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.47972756538218

> <JCHEM_POLAR_SURFACE_AREA>
36.019999999999996

> <JCHEM_REFRACTIVITY>
163.25299999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.46e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT000776

> <NAME>
Fluphenazine decanoate

> <DRUG_DRUGBANK_ID>
DB00623

> <DRUG_NAME>
Fluphenazine

> <CAS_NUMBER>
5002-47-1

> <UNII>
FMU62K1L3C

$$$$