
 CHEMBL577345

205210  0  0  0  0  0  0  0  0999 V2000
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 91 92  2  0  0  0
 93189  1  0  0  0
 94 95  1  0  0  0
 94190  1  0  0  0
 95 97  1  0  0  0
 95 96  2  0  0  0
 97100  1  0  0  0
 97 99  1  0  0  0
 97 98  1  0  0  0
 98191  1  0  0  0
 98192  1  0  0  0
 98193  1  0  0  0
 99194  1  0  0  0
 99195  1  0  0  0
 99196  1  0  0  0
100101  1  0  0  0
100197  1  0  0  0
101103  1  0  0  0
101102  2  0  0  0
103110  1  0  0  0
103104  1  0  0  0
103198  1  0  0  0
104105  1  0  0  0
104199  1  0  0  0
104200  1  0  0  0
105106  2  0  0  0
105109  1  0  0  0
106107  1  0  0  0
106201  1  0  0  0
107108  2  0  0  0
108109  1  0  0  0
108202  1  0  0  0
109203  1  0  0  0
110204  1  0  0  0
110205  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL577345

>  <PubChem CID>
45485585

>  <Formula>
C76H95FN14O19

>  <Molecular Weight>
1527.673000

>  <IUPAC Name>


>  <XlogP>
-0.9

>  <Hydrogen Bond Donors>
18

>  <Hydrogen Bond Acceptors>
22

>  <Canonical SMILES>
CCC1=C(C=CC(=C1)OC)C2=CC=C(C=C2)CC(C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4C)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(C)(CC5=CC=CC=C5F)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC6=CN=CN6)N

>  <Isomeric SMILES>
CCC1=C(C=CC(=C1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)N[C@@H](CC3=CC=C(C=C3)C4=CC=CC=C4C)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@](C)(CC5=CC=CC=C5F)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC6=CN=CN6)N

>  <InChI Std. ID>
InChI=1S/C76H95FN14O19/c1-9-45-32-50(110-8)26-27-52(45)47-24-20-44(21-25-47)31-57(68(103)83-56(65(79)100)30-43-18-22-46(23-19-43)51-16-12-10-14-40(51)2)84-69(104)58(34-62(98)99)85-70(105)59(38-92)86-71(106)63(41(3)93)89-74(109)76(7,35-48-15-11-13-17-53(48)77)91-72(107)64(42(4)94)88-60(95)37-81-67(102)55(28-29-61(96)97)87-73(108)75(5,6)90-66(101)54(78)33-49-36-80-39-82-49/h10-27,32,36,39,41-42,54-59,63-64,92-94H,9,28-31,33-35,37-38,78H2,1-8H3,(H2,79,100)(H,80,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t41-,42-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1

>  <InChI Key>
FQOJQWPQOOFFLK-SWNSGIGISA-N

