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(Q72492610)
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English
Monatepil
chemical compound
N-(6,11-Dihydrobenzo[c][1]benzothiepin-11-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]butanamide
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical formula
C₂₈H₃₀FN₃OS
0 references
canonical SMILES
O=C(CCCN1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2CSc2ccccc21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C28H30FN3OS/c29-22-11-13-23(14-12-22)32-18-16-31(17-19-32)15-5-10-27(33)30-28-24-7-2-1-6-21(24)20-34-26-9-4-3-8-25(26)28/h1-4,6-9,11-14,28H,5,10,15-20H2,(H,30,33)
0 references
InChIKey
WFNRNNUZFPVBSM-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
132019-54-6
0 references
ChEBI ID
177480
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H30FN3OS/c29-22-11-13-23(14-12-22)32-18-16-31(17-19-32)15-5-10-27(33)30-28-24-7-2-1-6-21(24)20-34-26-9-4-3-8-25(26)28/h1-4,6-9,11-14,28H,5,10,15-20H2,(H,30,33)
SureChEMBL ID
SCHEMBL354294
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WFNRNNUZFPVBSM-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0254841
1 reference
matched by identifier from
InChIKey
InChIKey
WFNRNNUZFPVBSM-UHFFFAOYSA-N
UNII
N4MMI0J7PW
1 reference
matched by identifier from
InChIKey
InChIKey
WFNRNNUZFPVBSM-UHFFFAOYSA-N
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