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(Q72460108)
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English
N-(1-Cyclohexyl-4-piperidinyl)-2-[hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl]-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinamine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical formula
C₃₆H₅₉N₇O₂
0 references
canonical SMILES
COc1cc2c(=NC3CCN(C4CCCCC4)CC3)[nH]c(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)
0 references
InChIKey
OUKWLRHRXOPODD-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
1320288-17-2
0 references
ChEBI ID
124924
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)
SureChEMBL ID
SCHEMBL16569051
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OUKWLRHRXOPODD-UHFFFAOYSA-N
UNII
Z5F4D95Y7J
1 reference
matched by identifier from
InChIKey
InChIKey
OUKWLRHRXOPODD-UHFFFAOYSA-N
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