Mrv1909 02092019542D          

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M  END
> <DATABASE_ID>
DB01728

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1

> <INCHI_KEY>
SLKDGVPOSSLUAI-PGUFJCEWSA-N

> <FORMULA>
C37H74NO8P

> <MOLECULAR_WEIGHT>
691.972

> <EXACT_MASS>
691.515205345

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
121

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.000992001480615401

> <JCHEM_AVERAGE_POLARIZABILITY>
85.5861854463454

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-aminoethoxy)[(2R)-2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid

> <ALOGPS_LOGP>
8.08

> <JCHEM_LOGP>
10.450915359136756

> <ALOGPS_LOGS>
-6.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8688003136581992

> <JCHEM_PKA_STRONGEST_BASIC>
9.999929336362278

> <JCHEM_POLAR_SURFACE_AREA>
134.38

> <JCHEM_REFRACTIVITY>
191.00390000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
39

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.45e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01728

> <SECONDARY_ACCESSION_NUMBERS>
EXPT02544

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine

> <SYNONYMS>
1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine; 2-aminoethyl (2R)-2,3-bis(hexadecanoyloxy)propyl hydrogen phosphate; 2-aminoethyl (2R)-2,3-bis(palmitoyloxy)propyl hydrogen phosphate; Dipalmitoyl phosphatidylethanolamine

$$$$