
 US8551978, I-25

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M  END

>  <Chemical Name>
US8551978, I-25

>  <PubChem CID>
59548055

>  <Formula>
C47H48N6O7

>  <Molecular Weight>
808.936000

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

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN(C1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CNCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)C(=O)CCN5CCC(CC5)OC(=O)NC6=CC=CC=C6C7=CC=CC=C7

>  <Isomeric SMILES>
CN(C1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CNC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)C(=O)CCN5CCC(CC5)OC(=O)NC6=CC=CC=C6C7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C47H48N6O7/c1-52(44(57)24-27-53-25-22-36(23-26-53)60-47(59)50-40-13-6-5-12-37(40)32-8-3-2-4-9-32)35-11-7-10-33(28-35)46(58)49-34-16-14-31(15-17-34)29-48-30-42(55)38-18-20-41(54)45-39(38)19-21-43(56)51-45/h2-21,28,36,42,48,54-55H,22-27,29-30H2,1H3,(H,49,58)(H,50,59)(H,51,56)/t42-/m0/s1

>  <InChI Key>
ARCRSHGBFYOWBH-WBCKFURZSA-N

