[NO NAME]
  Mrv0541 04211211512D          
Created with ChemWriter - http://chemwriter.com
 29 32  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
DB05039

> <DATABASE_NAME>
drugbank

> <SMILES>
CCC1=C(CC)C=C2CC(CC2=C1)NC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1

> <INCHI_KEY>
QZZUEBNBZAPZLX-QFIPXVFZSA-N

> <FORMULA>
C24H28N2O3

> <MOLECULAR_WEIGHT>
392.4907

> <EXACT_MASS>
392.209992772

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9681500945003636

> <JCHEM_AVERAGE_POLARIZABILITY>
44.96309258969747

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one

> <ALOGPS_LOGP>
3.31

> <JCHEM_LOGP>
3.2633259742508973

> <ALOGPS_LOGS>
-4.69

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.057652997721714

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.51088627371488

> <JCHEM_PKA_STRONGEST_BASIC>
9.713040028275149

> <JCHEM_POLAR_SURFACE_AREA>
81.59

> <JCHEM_REFRACTIVITY>
118.10239999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.98e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB05039

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Indacaterol

> <SYNONYMS>
Indacaterol

> <PRODUCTS>
Arcapta Neohaler; Atectura Breezhaler; Bemrist Breezhaler; Enerzair Breezhaler; Hirobriz Breezhaler; Onbrez Breezhaler; Oslif Breezhaler; Ultibro Breezhaler; Ulunar Breezhaler; Utibron Neohaler; Xoterna Breezhaler; Zimbus Breezhaler

> <INTERNATIONAL_BRANDS>
Arcapta ; Hirobriz; Onbrez; Onbrize

> <SALTS>
Indacaterol acetate; Indacaterol maleate

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