Mrv1909 05201914352D          

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M  END
> <DATABASE_ID>
DB14925

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)CN1C=NC2=C1N=CN=C2N

> <INCHI_IDENTIFIER>
InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1

> <INCHI_KEY>
SCTJKHUUZLXJIP-RUZDIDTESA-N

> <FORMULA>
C28H52N5O5P

> <MOLECULAR_WEIGHT>
569.728

> <EXACT_MASS>
569.370606792

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
91

> <JCHEM_AVERAGE_POLARIZABILITY>
66.60631812364961

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)[3-(hexadecyloxy)propoxy]phosphinic acid

> <ALOGPS_LOGP>
5.60

> <JCHEM_LOGP>
3.4033128886654525

> <ALOGPS_LOGS>
-5.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
18.546079739756784

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3990428910138204

> <JCHEM_PKA_STRONGEST_BASIC>
3.7454869214874593

> <JCHEM_POLAR_SURFACE_AREA>
134.60999999999999

> <JCHEM_REFRACTIVITY>
157.0118

> <JCHEM_ROTATABLE_BOND_COUNT>
25

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.60e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14925

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Tenofovir exalidex

> <SYNONYMS>
Tenofovir exalidex

$$$$