4-(4'-methylbiphenyl-2-carboxamido)-N-methyl-N-[2-[3-(4-methylpiperazin-1-yl)carbonylamino-(1-propyn-1-yl)]phenyl]benzamide

HCID 70070182
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Basic information

Standard SMILES
Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3C#CCNC(=O)N3CCN(C)CC3)cc2)cc1
InChIKey
HMWHCMDRXZHHIK-UHFFFAOYSA-N
Molecular formula
C37H37N5O3
Average molar mass
599.7 g/mol

Names & identifiers

Preferred name
4-(4'-methylbiphenyl-2-carboxamido)-N-methyl-N-[2-[3-(4-methylpiperazin-1-yl)carbonylamino-(1-propyn-1-yl)]phenyl]benzamide
IUPAC
4-methyl-N-[3-[2-[methyl-[4-[[2-(4-methylphenyl)benzoyl]amino]benzoyl]amino]phenyl]prop-2-ynyl]piperazine-1-carboxamide

Names & synonyms

SCHEMBL7373134HMWHCMDRXZHHIK-UHFFFAOYSA-N4-(4'-methylbiphenyl-2-carboxamido)-N-methyl-N-[2-[3-(4-methylpiperazin-1-yl)carbonylamino-(1-propyn-1-yl)]phenyl]benzamide

Database identifiers

PubChem CID
70070182

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
85 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
45

Related reactions

2 records
New reaction record

Linked notes

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