| PDB CCD ID: | HMD |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C11 H10 Br N5 O2 |
| InChI: | InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3-5H,1-2H2,(H,14,18)(H2,13,17,19)/t4-,5-/m0/s1 |
| InChIKey: | QPCBNXNDVYOBIP-WHFBIAKZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C1CNC(=O)C2=NC(=CC2C1C3=NC(=NC3=O)N)Br | | CACTVS 3.341 | NC1=NC(=O)C(=N1)[CH]2CCNC(=O)C3=NC(=C[CH]23)Br | | CACTVS 3.341 | NC1=NC(=O)C(=N1)[C@H]2CCNC(=O)C3=NC(=C[C@@H]23)Br | | ACDLabs 10.04 | O=C1N=C(N=C1C3CCNC(=O)C2=NC(Br)=CC23)N |
|
| Name: | 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE;
HYMENIALDISINE |
| DrugBank: | DB02950 |
| ZINC: | ZINC000100032696 |
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