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Chemistry

Mol. Mass

705.633

ALogP

1.13

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCC(C)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(OC[C@H]5CO[C@@](CN6C=NC=N6)(O5)C7=CC=C(Cl)C=C7Cl)C=C4
  • InChIKey: VHVPQPYKVGDNFY-ZPGVKDDISA-N
    1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1711   ChEMBL
isoproterenol hydrochloride

CHEMBL22587   ChEMBL

304NUG5GF4   NCATS
itraconazole *

Itraconazole   Wikipedia

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