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Basic information
- Standard SMILES
O=C(O)CCCCN1CCN(Cc2ccc(-c3cc4nccc(Oc5ccc(NC(=O)NC6CC6)cc5F)c4s3)nc2)CC1- InChIKey
MNAMYVKMVHKAAR-UHFFFAOYSA-N- Molecular formula
- C32H35FN6O4S
- Average molar mass
- 618.7 g/mol
- Monoisotopic mass
- 618.24245295
Names & identifiers
- Preferred name
- 5-(4-((6-(7-(4-(3-Cyclopropylureido)-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl)pyridin-3-yl)methyl)piperazin-1-yl)pentanoic acid
- IUPAC
- 5-[4-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperazin-1-yl]pentanoic acid
Names & synonyms
SCHEMBL2530795MNAMYVKMVHKAAR-UHFFFAOYSA-N5-(4-((6-(7-(4-(3-cyclopropylureido)-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl)pyridin-3-yl)methyl)piperazin-1-yl)pentanoic acid
Database identifiers
- PubChem CID
- 67440970
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 956
Related reactions
1 records
Compound notes
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