Basic Information |
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Product Name: | BIBS 39 |
CAS: | 133085-33-3 |
English Synonyms: | BIBS 39 |
MDL Number.: | MFCD00907215 |
H bond acceptor: | 7 |
H bond donor: | 3 |
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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