Bioactive Compound Details

BioIDbio200257
NameCARABRYL 2-CHLORONICOTINATE
ChEMBL IDCHEMBL2229128
Molecular FormulaC21H24ClNO4
Molecular Weight389.88
Molecular Weight (Monoisotopic)389.1394
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesC=C1C(=O)O[C@@H]2C[C@]3(C)C(CCC(C)OC(=O)c4cccnc4Cl)[C@@H]3C[C@H]12
InchiInChI=1S/C21H24ClNO4/c1-11(26-20(25)13-5-4-8-23-18(13)22)6-7-15-16-9-14-12(2)19(24)27-17(14)10-21(15,16)3/h4-5,8,11,14-17H,2,6-7,9-10H2,1,3H3/t11?,14-,15?,16+,17-,21-/m1/s1
Inchi KeyVTSWFAJYAHZUBP-WKCJXZIJSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.63
Records Key['II-35']
Records Name['Carabryl 2-Chloronicotinate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure