Mrv2304 09152321522D          

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M  END
> <DATABASE_ID>
DB18295

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(C)CN(CC(=O)N(CCCN1CCCC1=O)CC(N)=O)C(=O)CNCCC1=CC=CC=C1F

> <INCHI_IDENTIFIER>
InChI=1S/C25H38FN5O4/c1-19(2)16-31(24(34)15-28-11-10-20-7-3-4-8-21(20)26)18-25(35)30(17-22(27)32)14-6-13-29-12-5-9-23(29)33/h3-4,7-8,19,28H,5-6,9-18H2,1-2H3,(H2,27,32)

> <INCHI_KEY>
ODCKWAPNRBCXHV-UHFFFAOYSA-N

> <FORMULA>
C25H38FN5O4

> <MOLECULAR_WEIGHT>
491.608

> <EXACT_MASS>
491.290782887

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
4.8330690161035275

> <JCHEM_AVERAGE_POLARIZABILITY>
52.20573147309293

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(carbamoylmethyl)-2-(2-{[2-(2-fluorophenyl)ethyl]amino}-N-(2-methylpropyl)acetamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

> <JCHEM_LOGP>
-0.3524111273333336

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
19.46830984423651

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.048786854017333

> <JCHEM_PKA_STRONGEST_BASIC>
8.164338720635106

> <JCHEM_POLAR_SURFACE_AREA>
116.05000000000001

> <JCHEM_REFRACTIVITY>
131.37979999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
N-(carbamoylmethyl)-2-(2-{[2-(2-fluorophenyl)ethyl]amino}-N-(2-methylpropyl)acetamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB18295

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
BN-201

> <SYNONYMS>
Glycinamide, n-(2-(2-fluorophenyl)ethyl)glycyl-n-(2-methylpropyl)glycyl-n2-(3-(2-oxo-1-pyrrolidinyl)propyl)-; N-(2-amino-2-oxoethyl)-2-(2-((4-fluorophenethyl)amino)-N-isobutylacetamido)-N-(3-(2-oxopyrrolidin-1-yl)propyl)acetamide N-({Carbamoylmethyl-[3-(2-oxo-pyrrolidin-1-yl)propyl}-carbamoyl}-methyl)-2-[2-(2-fluorophenyl)-ethylamino]-N-isobutyl-acetamide

$$$$