| PDB CCD ID: | 00R |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H29 N7 O5 S |
| InChI: | InChI=1S/C24H29N7O5S/c25-22-26-15-19(28-22)16-8-10-17(11-9-16)27-21(32)20-7-4-12-30-23(33)29(24(34)31(20)30)13-14-37(35,36)18-5-2-1-3-6-18/h1-7,15-17,20H,8-14H2,(H,27,32)(H3,25,26,28)/t16-,17-,20-/m0/s1 |
| InChIKey: | RRUPLXTVXFHADQ-ZWOKBUDYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=CC(N3C2=O)C(=O)NC4CCC(CC4)c5cnc([nH]5)N | | CACTVS 3.370 | Nc1[nH]c(cn1)[C@@H]2CC[C@H](CC2)NC(=O)[C@@H]3C=CCN4N3C(=O)N(CC[S](=O)(=O)c5ccccc5)C4=O | | CACTVS 3.370 | Nc1[nH]c(cn1)[CH]2CC[CH](CC2)NC(=O)[CH]3C=CCN4N3C(=O)N(CC[S](=O)(=O)c5ccccc5)C4=O | | ACDLabs 12.01 | O=S(=O)(c1ccccc1)CCN2C(=O)N3N(C2=O)C(C=CC3)C(=O)NC5CCC(c4cnc(N)n4)CC5 | | OpenEye OEToolkits 1.7.0 | c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NC4CCC(CC4)c5cnc([nH]5)N |
|
| Name: | (5S)-N-[trans-4-(2-amino-1H-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide |
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