Mrv1909 12231917202D          

 24 25  0  0  0  0            999 V2000
   -0.3627   -0.0413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3499    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3499    1.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677    1.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7830    1.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7830    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677   -0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3627    1.6113    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0703    1.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0703    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7804   -0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4957    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4957    1.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7804    1.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3627   -0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3499   -1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3499   -2.0916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677   -2.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3627   -2.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677   -0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7830   -1.2781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4957   -0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7830   -2.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8593    2.5047    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 15  1  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT002909

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.CN(C)CC(CN1C2=C(SC3=C1C=CC=C3)C=CC=C2)N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C19H25N3S.ClH/c1-20(2)13-15(21(3)4)14-22-16-9-5-7-11-18(16)23-19-12-8-6-10-17(19)22;/h5-12,15H,13-14H2,1-4H3;1H

> <INCHI_KEY>
ISZDANQLTTVSKO-UHFFFAOYSA-N

> <FORMULA>
C19H26ClN3S

> <MOLECULAR_WEIGHT>
363.95

> <EXACT_MASS>
363.1535967

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9809625383715848

> <JCHEM_AVERAGE_POLARIZABILITY>
36.94661365139047

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[2-(dimethylamino)-3-(10H-phenothiazin-10-yl)propyl]dimethylamine hydrochloride

> <ALOGPS_LOGP>
3.82

> <JCHEM_LOGP>
3.949407419333334

> <ALOGPS_LOGS>
-3.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.65231913757292

> <JCHEM_POLAR_SURFACE_AREA>
9.72

> <JCHEM_REFRACTIVITY>
101.77539999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.01e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(4-fluorophenyl)-4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-trien-12-yl]butan-1-one

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT002909

> <NAME>
Aminopromazine hydrochloride

> <DRUG_DRUGBANK_ID>
DB15596

> <DRUG_NAME>
Aminopromazine

> <CAS_NUMBER>
18704-89-7

> <UNII>
LFQ7A5UU22

$$$$