
 BDBM29528

 83 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM29528

>  <PubChem CID>
42618249

>  <Formula>
C33H38ClN5O6

>  <Molecular Weight>
636.146000

>  <IUPAC Name>
2-[4-[6-(6-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CCCCCN3C(=O)C4=C5C(=C(C=C4)N)C=CC=C5C3=O)Cl)N

>  <Isomeric SMILES>
COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CCCCCN3C(=O)C4=C5C(=C(C=C4)N)C=CC=C5C3=O)Cl)N

>  <InChI Std. ID>
InChI=1S/C33H38ClN5O6/c1-44-28-19-27(36)25(34)18-24(28)33(43)45-17-16-38-14-11-20(12-15-38)37-29(40)8-3-2-4-13-39-31(41)22-7-5-6-21-26(35)10-9-23(30(21)22)32(39)42/h5-7,9-10,18-20H,2-4,8,11-17,35-36H2,1H3,(H,37,40)

>  <InChI Key>
BVSHRWXIROPTPP-UHFFFAOYSA-N

