milademetan Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

790.74

ALogP

3.96

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC1(C)CCC2(CC1)N[C@@H](C(=O)N[C@@H]1CC[C@@H](C(N)=O)OC1)[C@H](c1ccnc(Cl)c1F)[C@]21C(=O)Nc2ccc(Cl)cc21.Cc1ccc(S(=O)(=O)O)cc1
  • InChIKey: IMQCYLLYCWTAHP-LINJWFRASA-N
    InChI=1S/C30H34Cl2FN5O4.C7H8O3S/c1-28(2)8-10-29(11-9-28)30(18-13-15(31)3-5-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16;1-6-2-4-7(5-3-6)11(8,9)10/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41);2-5H,1H3,(H,8,9,10)/t16-,20+,21+,23-,30-;/m1./s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5314414   ChEMBL
milademetan tosylate

CHEMBL5314415   ChEMBL
milademetan

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