
 SCHEMBL741284

120126  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL741284

>  <PubChem CID>
59548136

>  <Formula>
C51H56N6O7

>  <Molecular Weight>
865.044000

>  <IUPAC Name>
[1-[3-[5-[[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]methylcarbamoyl]-N,2-dimethylanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC(=C2)CC(C)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)N(C)C(=O)CCN5CCC(CC5)OC(=O)NC6=CC=CC=C6C7=CC=CC=C7

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC(=C2)CC(C)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)N(C)C(=O)CCN5CCC(CC5)OC(=O)NC6=CC=CC=C6C7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C51H56N6O7/c1-33-16-17-38(50(62)53-31-36-11-9-10-35(29-36)28-34(2)52-32-46(59)41-18-20-45(58)49-42(41)19-21-47(60)55-49)30-44(33)56(3)48(61)24-27-57-25-22-39(23-26-57)64-51(63)54-43-15-8-7-14-40(43)37-12-5-4-6-13-37/h4-21,29-30,34,39,46,52,58-59H,22-28,31-32H2,1-3H3,(H,53,62)(H,54,63)(H,55,60)/t34?,46-/m0/s1

>  <InChI Key>
AQCSPCSXGOHDCK-LYMXURKRSA-N

