sarecycline Report issue

Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

487.5024

ALogP

0.11

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CON(C)CC1=CC=C(O)C2=C1C[C@H]3C[C@H]4[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]4(O)C(O)=C3C2=O
  • InChIKey: PQJQFLNBMSCUSH-SBAJWEJLSA-N
    1S/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2364632   ChEMBL
sarecycline

94O110CX2E   NCATS
sarecycline *

Sarecycline   Wikipedia

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