
 CHEMBL3946745

 63 68  0  0  0  0  0  0  0  0999 V2000
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  1 33  1  0  0  0
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  4  5  2  0  0  0
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  6 38  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  7 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3946745

>  <PubChem CID>
70924216

>  <Formula>
C27H31N5

>  <Molecular Weight>
425.580000

>  <IUPAC Name>
(8S)-N-(piperidin-3-ylmethyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(C2=C(C1)C=CC=N2)N(CC3CCCNC3)CC4=NC=CC5=C4NC6=CC=CC=C56

>  <Isomeric SMILES>
C1C[C@@H](C2=C(C1)C=CC=N2)N(CC3CCCNC3)CC4=NC=CC5=C4NC6=CC=CC=C56

>  <InChI Std. ID>
InChI=1S/C27H31N5/c1-2-10-23-21(9-1)22-12-15-29-24(27(22)31-23)18-32(17-19-6-4-13-28-16-19)25-11-3-7-20-8-5-14-30-26(20)25/h1-2,5,8-10,12,14-15,19,25,28,31H,3-4,6-7,11,13,16-18H2/t19?,25-/m0/s1

>  <InChI Key>
ANUKPGQDPSEJQB-BIAFCPFJSA-N

