
 CHEMBL1915864

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1915864

>  <PubChem CID>
57391066

>  <Formula>
C29H29ClN2O5

>  <Molecular Weight>
521.010000

>  <IUPAC Name>
1-[4-chloro-3-[[2,5-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]cyclopropane-1-carboxylic acid

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C(C=C1C(=O)NC2=C(C=CC(=C2)C3(CC3)C(=O)O)Cl)C)OCC4CN(C5=CC=CC=C5O4)C

>  <Isomeric SMILES>
CC1=CC(=C(C=C1C(=O)NC2=C(C=CC(=C2)C3(CC3)C(=O)O)Cl)C)OC[C@@H]4CN(C5=CC=CC=C5O4)C

>  <InChI Std. ID>
InChI=1S/C29H29ClN2O5/c1-17-13-26(36-16-20-15-32(3)24-6-4-5-7-25(24)37-20)18(2)12-21(17)27(33)31-23-14-19(8-9-22(23)30)29(10-11-29)28(34)35/h4-9,12-14,20H,10-11,15-16H2,1-3H3,(H,31,33)(H,34,35)/t20-/m0/s1

>  <InChI Key>
IPTWJYYQBCMAJP-FQEVSTJZSA-N

