Bioactive Compound Details

BioIDbio1222
NameCLAVATADINE C
ChEMBL IDCHEMBL554758
Molecular FormulaC14H17Br2N5O3
Molecular Weight463.13
Molecular Weight (Monoisotopic)460.9698
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsClavatadine C
SmilesN=C(N)NCCCCNC(=O)C1=NOC2(C=C(Br)C(=O)C(Br)=C2)C1
InchiInChI=1S/C14H17Br2N5O3/c15-8-5-14(6-9(16)11(8)22)7-10(21-24-14)12(23)19-3-1-2-4-20-13(17)18/h5-6H,1-4,7H2,(H,19,23)(H4,17,18,20)
Inchi KeyDMNVUXRRFZWSMP-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets2.0
Bioactivities2.0
Np Likeness Score1.08
Records Key['1']
Records Name['clavatadine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure