Mrv0541 08221314182D          

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M  END
> <DATABASE_ID>
DBSALT000777

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3

> <INCHI_KEY>
LRWSFOSWNAQHHW-UHFFFAOYSA-N

> <FORMULA>
C29H38F3N3O2S

> <MOLECULAR_WEIGHT>
549.691

> <EXACT_MASS>
549.26368278

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.6941000563666617

> <JCHEM_AVERAGE_POLARIZABILITY>
59.85312905434762

> <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 heptanoate

> <ALOGPS_LOGP>
6.40

> <JCHEM_LOGP>
6.885757531999997

> <ALOGPS_LOGS>
-5.86

> <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>
149.44999999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.53e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT000777

> <NAME>
Fluphenazine enanthate

> <DRUG_DRUGBANK_ID>
DB00623

> <DRUG_NAME>
Fluphenazine

> <CAS_NUMBER>
2746-81-8

> <UNII>
QSB34YF0W9

$$$$