
 CHEMBL2371522

200207  0  0  0  0  0  0  0  0999 V2000
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100194  1  0  0  0
101102  1  0  0  0
101195  1  0  0  0
101196  1  0  0  0
102103  2  0  0  0
102107  1  0  0  0
103104  1  0  0  0
103197  1  0  0  0
104105  2  0  0  0
104198  1  0  0  0
105106  1  0  0  0
105108  1  0  0  0
106107  2  0  0  0
106199  1  0  0  0
107200  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2371522

>  <PubChem CID>
73347086

>  <Formula>
C74H92Cl2N18O14

>  <Molecular Weight>
1528.562000

>  <IUPAC Name>


>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
15

>  <Hydrogen Bond Acceptors>
16

>  <Canonical SMILES>
CC(C)CC1C(=O)NC2CCNC(=O)C(NC(=O)CCC(C(=O)NC(C(=O)N1)CCCN=C(N)N)NC(=O)C(CC(=O)NCC(NC(=O)C3CCCN3C2=O)C(=O)N)NC(=O)C(CC4=CN=CC=C4)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C)CC8=CC=C(C=C8)Cl

>  <Isomeric SMILES>
CC(C)C[C@H]1C(=O)N[C@H]2CCNC(=O)[C@@H](NC(=O)CC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN=C(N)N)NC(=O)[C@H](CC(=O)NC[C@H](NC(=O)[C@@H]3CCCN3C2=O)C(=O)N)NC(=O)[C@@H](CC4=CN=CC=C4)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C)CC8=CC=C(C=C8)Cl

>  <InChI Std. ID>
InChI=1S/C74H92Cl2N18O14/c1-40(2)31-53-67(102)88-52-26-29-81-64(99)54(33-42-15-20-48(75)21-16-42)85-61(96)25-24-51(66(101)86-50(65(100)89-53)12-7-28-82-74(78)79)87-71(106)58(37-62(97)83-39-59(63(77)98)93-72(107)60-13-8-30-94(60)73(52)108)92-70(105)57(36-45-9-6-27-80-38-45)91-69(104)56(34-43-17-22-49(76)23-18-43)90-68(103)55(84-41(3)95)35-44-14-19-46-10-4-5-11-47(46)32-44/h4-6,9-11,14-23,27,32,38,40,50-60H,7-8,12-13,24-26,28-31,33-37,39H2,1-3H3,(H2,77,98)(H,81,99)(H,83,97)(H,84,95)(H,85,96)(H,86,101)(H,87,106)(H,88,102)(H,89,100)(H,90,103)(H,91,104)(H,92,105)(H,93,107)(H4,78,79,82)/t50-,51+,52+,53+,54+,55-,56-,57-,58+,59+,60+/m1/s1

>  <InChI Key>
BWIRLTFDQRYWIY-XPXMVXLFSA-N

