
 CHEMBL1809043

 77 83  0  0  0  0  0  0  0  0999 V2000
    3.2489    2.0567   -5.5106 C   0  0  0  0  0
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    5.3702    1.8678   -4.9938 H   0  0  0  0  0
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    5.9728  -12.6397    1.2375 H   0  0  0  0  0
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    8.0396  -11.4757    4.4300 H   0  0  0  0  0
    8.0501  -10.0581    3.3786 H   0  0  0  0  0
    5.8376  -12.1816    3.6446 H   0  0  0  0  0
    5.7183  -10.5309    4.2214 H   0  0  0  0  0
    3.5795    0.9291    0.5390 H   0  0  0  0  0
    4.0097   -0.2310    4.0834 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1809043

>  <PubChem CID>
56663563

>  <Formula>
C32H37N5O3

>  <Molecular Weight>
539.680000

>  <IUPAC Name>
(6aR,9R)-4-(2-morpholin-4-ylethyl)-N-phenyl-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7-carboxamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)C(=O)C2CN(C3CC4=CN(C5=CC=CC(=C45)C3=C2)CCN6CCOCC6)C(=O)NC7=CC=CC=C7

>  <Isomeric SMILES>
C1CCN(C1)C(=O)[C@H]2CN([C@@H]3CC4=CN(C5=CC=CC(=C45)C3=C2)CCN6CCOCC6)C(=O)NC7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C32H37N5O3/c38-31(35-11-4-5-12-35)24-19-27-26-9-6-10-28-30(26)23(21-36(28)14-13-34-15-17-40-18-16-34)20-29(27)37(22-24)32(39)33-25-7-2-1-3-8-25/h1-3,6-10,19,21,24,29H,4-5,11-18,20,22H2,(H,33,39)/t24-,29-/m1/s1

>  <InChI Key>
IKHKEYNSXLJAKJ-FUFSCUOVSA-N

