Mrv1909 02042122372D          

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M  END
> <DATABASE_ID>
DB15133

> <DATABASE_NAME>
drugbank

> <SMILES>
CN1CCC(COC2=CN=C(N=C2)C2=CC(CN3N=C(C=CC3=O)C3=CC(=CC=C3)C#N)=CC=C2)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3

> <INCHI_KEY>
AHYMHWXQRWRBKT-UHFFFAOYSA-N

> <FORMULA>
C29H28N6O2

> <MOLECULAR_WEIGHT>
492.583

> <EXACT_MASS>
492.227374166

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9927280154976607

> <JCHEM_AVERAGE_POLARIZABILITY>
54.70410460265933

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{1-[(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}phenyl)methyl]-6-oxo-1,6-dihydropyridazin-3-yl}benzonitrile

> <JCHEM_LOGP>
3.996021434000001

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.134353748695272

> <JCHEM_POLAR_SURFACE_AREA>
94.71

> <JCHEM_REFRACTIVITY>
154.742

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium dexamethasone phosphate(2-)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB15133

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Tepotinib

> <SYNONYMS>
Tepotinib

> <PRODUCTS>
Tepmetko

> <INTERNATIONAL_BRANDS>
Tepmetko

> <SALTS>
Tepotinib hydrochloride

$$$$