Bioactive Compound Details

BioIDbio198564
Name6-DEMETHYL-6-(2-METHYLPROPYL)MITOMYCIN B
ChEMBL IDCHEMBL52737
Molecular FormulaC19H25N3O6
Molecular Weight391.42
Molecular Weight (Monoisotopic)391.1743
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCOC1=C(CC(C)C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C
InchiInChI=1S/C19H25N3O6/c1-8(2)5-9-14(23)13-12(15(24)16(9)27-4)10(7-28-18(20)25)19(26)17-11(21(17)3)6-22(13)19/h8,10-11,17,26H,5-7H2,1-4H3,(H2,20,25)/t10-,11-,17-,19+,21?/m0/s1
Inchi KeyXUNWXSGYDHBPMW-XKLGILEDSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities3.0
Np Likeness Score1.52
Records Key['5b']
Records Name['6-Demethyl-6-(2-methylpropyl)mitomycin B']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure