HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

(2E)-3-{4-[({1-[({3-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-1H-indol-6-yl}carbonyl)amino]cyclopentyl}carbonyl)amino]phenyl}acrylic acid

HCID 11614623
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCN(C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)O)cc5)CCCC4)cc32)CC1
InChIKey
XBVQUBJGMLKRAH-LTGZKZEYSA-N
Molecular formula
C43H49N5O5
Average molar mass
715.9 g/mol

Names & identifiers

Preferred name
(2E)-3-{4-[({1-[({3-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-1H-indol-6-yl}carbonyl)amino]cyclopentyl}carbonyl)amino]phenyl}acrylic acid
IUPAC
(E)-3-[4-[[1-[[3-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenylindole-6-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid

Names & synonyms

SCHEMBL2901540XBVQUBJGMLKRAH-LTGZKZEYSA-N(2E)-3-{4-[({1-[({3-cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-1H-indol-6-yl}carbonyl)amino]cyclopentyl}carbonyl)amino]phenyl}acrylic acid

Database identifiers

PubChem CID
11614623

Properties

Computed structural propertiesFilling in

XLogP
4.5
Topological polar surface area
124 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
53
Formal charge
0
Complexity
1,300

Related reactions

1 records
New reaction record
HRID 1713951 reaction equation
HRID 1713951As productuspto-grants-2010_09

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes