Mrv2304 09122316432D          

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    5.7183    6.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
DB18115

> <DATABASE_NAME>
drugbank

> <SMILES>
FC1=CC(CN2CC(C2)N2CCOCC2)=CC=C1CNC1=CC=CC2=C1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H30FN5O5/c29-21-12-17(14-32-15-19(16-32)33-8-10-39-11-9-33)4-5-18(21)13-30-22-3-1-2-20-25(22)28(38)34(27(20)37)23-6-7-24(35)31-26(23)36/h1-5,12,19,23,30H,6-11,13-16H2,(H,31,35,36)/t23-/m0/s1

> <INCHI_KEY>
NZYDBVQXOGPDDU-QHCPKHFHSA-N

> <FORMULA>
C28H30FN5O5

> <MOLECULAR_WEIGHT>
535.576

> <EXACT_MASS>
535.223097249

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
3.0106891592432614

> <JCHEM_AVERAGE_POLARIZABILITY>
55.53785809443563

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(3S)-2,6-dioxopiperidin-3-yl]-4-{[(2-fluoro-4-{[3-(morpholin-4-yl)azetidin-1-yl]methyl}phenyl)methyl]amino}-2,3-dihydro-1H-isoindole-1,3-dione

> <JCHEM_LOGP>
1.635443501333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.74266809987661

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.593281232553014

> <JCHEM_PKA_STRONGEST_BASIC>
6.507223675983895

> <JCHEM_POLAR_SURFACE_AREA>
111.28999999999999

> <JCHEM_REFRACTIVITY>
142.6851

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-[(3S)-2,6-dioxopiperidin-3-yl]-4-{[(2-fluoro-4-{[3-(morpholin-4-yl)azetidin-1-yl]methyl}phenyl)methyl]amino}isoindole-1,3-dione

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB18115

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Golcadomide

> <SYNONYMS>
2-[(3S)-2,6-dioxopiperidin-3-yl]-4-{[(2-fluoro-4-{[3-(morpholin-4-yl)azetidin-1-yl]methyl} phenyl) methyl]amino}-1H-isoindole-1,3(2H)-dione

> <SALTS>
Golcadomide hydrochloride

$$$$