basic_info |
|
| Product_Name： | BIBS 39 |
| CAS： | 133085-33-3 |
| EnglishSynonyms： | BIBS 39 |
| pro_mdlNumber： | MFCD00907215 |
| pro_acceptors： | 7 |
| pro_donors： | 3 |
| pro_smile： | CCCCc1nc2ccc(cc2n1c3ccc(cc3)c4ccccc4C(=O)O)NC(=O)NC5CCCCC5 |
| InChi： | InChI=1S/C31H34N4O3/c1-2-3-13-29-34-27-19-16-23(33-31(38)32-22-9-5-4-6-10-22)20-28(27)35(29)24-17-14-21(15-18-24)25-11-7-8-12-26(25)30(36)37/h7-8,11-12,14-20,22H,2-6,9-10,13H2,1H3,(H,36,37)(H2,32,33,38) |
| InChiKey： | InChIKey=MCLGUFXEEBLBKA-UHFFFAOYSA-N |
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