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Small molecule Experimental
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Chemistry

Mol. Mass

499.66

ALogP

2.4

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21
  • InChIKey: RHIBAIKQWJNESW-YADHBBJMSA-N
    InChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3/t21-,22+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3990145   ChEMBL
imarikiren

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