Bioactive Compound Details

BioIDbio199658
NameMYCMYCIN 2
ChEMBL IDCHEMBL567658
Molecular FormulaC29H45Cl2N5O9S2
Molecular Weight742.75
Molecular Weight (Monoisotopic)741.2036
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsMycmycin 2
SmilesCNC(=O)[C@@H]1CN(C(=O)CCCCCNC(=O)OC(C)(C)C)C[C@H]1C(=O)NC[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C(=O)OC(C)(C)C
InchiInChI=1S/C29H45Cl2N5O9S2/c1-28(2,3)44-26(40)19(35-47(42,43)20-13-21(30)46-23(20)31)14-34-25(39)18-16-36(15-17(18)24(38)32-7)22(37)11-9-8-10-12-33-27(41)45-29(4,5)6/h13,17-19,35H,8-12,14-16H2,1-7H3,(H,32,38)(H,33,41)(H,34,39)/t17-,18-,19+/m1/s1
Inchi KeyNIIMXBGMMJFBSP-QRVBRYPASA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score-0.91
Records Key['4, II-A3B16']
Records Name['Mycmycin-2']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure