Molecules/2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3R,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
Molecular Identity
2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3R,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
PubChem CID: 6602328
2D Structure
Properties
C21H20ClNO5
Molecular Formula
401.80
Molecular Weight
g/mol
401.1030
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
90.2
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
628
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)OIsomeric SMILES
SMILES: CN1CC[C@@H]([C@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)OSynonyms(7)
CHEMBL17090892-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-oneF9ZAlvocidib (Flavopiridol)NCGC00014961-02NCIStruc1_001744BDBM50403757
Data from PubChem (NCBI)
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Molecular Structure
2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
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Drug Network
Trials and conditions connected to 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
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