Mrv2304 05082318202D          

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M  END
> <DATABASE_ID>
DB17754

> <DATABASE_NAME>
drugbank

> <SMILES>
CCC1=C(N2C=C(Cl)C=CC2=N1)C(=O)NCC1=CC=C(C=C1)N1CCC(CC1)C1=CC=C(OC(F)(F)F)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C29H28ClF3N4O2/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33/h3-12,18,21H,2,13-17H2,1H3,(H,34,38)

> <INCHI_KEY>
OJICYBSWSZGRFB-UHFFFAOYSA-N

> <FORMULA>
C29H28ClF3N4O2

> <MOLECULAR_WEIGHT>
557.01

> <EXACT_MASS>
556.1852883

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
2.0728607958321787

> <JCHEM_AVERAGE_POLARIZABILITY>
55.955339370667446

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-chloro-2-ethyl-N-[(4-{4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl}phenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

> <JCHEM_LOGP>
6.724635363333334

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
58.870000000000005

> <JCHEM_REFRACTIVITY>
142.70929999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
6-chloro-2-ethyl-N-[(4-{4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl}phenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB17754

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Telacebec

> <SYNONYMS>
6-chloro-2-ethyl-n-((4-(4-(4-(trifluoromethoxy)phenyl)-1-piperdinyl)phenyl)methyl)-imidazo(1,2-a)pyridine-3-carboxamide; Imidazo(1,2-a)pyridine-3-carboxamide, 6-chloro-2-ethyl-n-((4-(4-(4-(trifluoromethoxy)phenyl)-1-piperidinyl)phenyl)methyl)-

$$$$