Mrv1909 02012116522D          

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M  END
> <DATABASE_ID>
DBSALT003142

> <DATABASE_NAME>
drugbank

> <SMILES>
CS(O)(=O)=O.CS(O)(=O)=O.CC1=CC=CC(\C=N\NC2=NC(OCCC3=NC=CC=C3)=NC(=C2)N2CCOCC2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C23H26N6O2.2CH4O3S/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20;2*1-5(2,3)4/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28);2*1H3,(H,2,3,4)/b25-17+;;

> <INCHI_KEY>
GAJWNIKZLYZYSY-OKUPSQOASA-N

> <FORMULA>
C25H34N6O8S2

> <MOLECULAR_WEIGHT>
610.7

> <EXACT_MASS>
610.187954427

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.08463438017050555

> <JCHEM_AVERAGE_POLARIZABILITY>
45.8005411725359

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-{6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazin-1-yl]-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-yl}morpholine; bis(methanesulfonic acid)

> <JCHEM_LOGP>
4.815382321666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.422554224401855

> <JCHEM_PKA_STRONGEST_BASIC>
5.888126473349528

> <JCHEM_POLAR_SURFACE_AREA>
84.76

> <JCHEM_REFRACTIVITY>
123.25739999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-demethyldiltiazem

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT003142

> <NAME>
Apilimod mesylate

> <DRUG_DRUGBANK_ID>
DB05611

> <DRUG_NAME>
Apilimod

> <CAS_NUMBER>
870087-36-8

> <UNII>
5G3P5OK11S

$$$$