
 CHEMBL243725

 77 80  0  0  0  0  0  0  0  0999 V2000
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    3.7383    5.0117    8.0222 H   0  0  0  0  0
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    1.9486   -0.8705    7.1617 H   0  0  0  0  0
    3.4811   -1.5731    6.6541 H   0  0  0  0  0
    2.4401   -3.8574    6.7541 H   0  0  0  0  0
    0.9421   -3.1540    7.3496 H   0  0  0  0  0
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    0.3094   -1.5959   10.8117 H   0  0  0  0  0
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    2.9582   -4.5661   10.1896 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL243725

>  <PubChem CID>
23625635

>  <Formula>
C29H38IN5O4

>  <Molecular Weight>
647.558000

>  <IUPAC Name>
1-[(4-iodophenyl)carbamoylamino]-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(C1)(C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCN3CCOCC3)NC(=O)NC4=CC=C(C=C4)I

>  <Isomeric SMILES>
C1CCC(C1)(C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCCCN3CCOCC3)NC(=O)NC4=CC=C(C=C4)I

>  <InChI Std. ID>
InChI=1S/C29H38IN5O4/c30-23-9-11-24(12-10-23)32-28(38)34-29(13-4-5-14-29)27(37)33-25(21-22-7-2-1-3-8-22)26(36)31-15-6-16-35-17-19-39-20-18-35/h1-3,7-12,25H,4-6,13-21H2,(H,31,36)(H,33,37)(H2,32,34,38)/t25-/m1/s1

>  <InChI Key>
FANCPGIRYUBYKX-RUZDIDTESA-N

