Auranomide B
AlkaPlorer ID: AK085870
Synonym: None
IUPAC Name: methyl 2-[2-[(2S)-5-amino-3,4-dihydro-2H-pyrrol-2-yl]-4-oxoquinazolin-3-yl]benzoate
Structure
SMILES: COC(=O)C1=CC=CC=C1N1C([C@@H]2CCC(N)=N2)=NC2=CC=CC=C2C1=O
InChI: InChI=1S/C20H18N4O3/c1-27-20(26)13-7-3-5-9-16(13)24-18(15-10-11-17(21)22-15)23-14-8-4-2-6-12(14)19(24)25/h2-9,15H,10-11H2,1H3,(H2,21,22)/t15-/m0/s1
InChIKey: YRDOREWIUUVFFE-HNNXBMFYSA-N
Source
Properties Information
Molecule Weight: 362.38900000000007
TPSA?: 99.57
MolLogP?: 2.3644
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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