Security information
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Basic information
| Signal Word | |
|---|---|
| InchiKey | JMKBTILBGROESC-LITSAYRRSA-N |
| Canonical Smiles | CC1(C)C[C@@H](CCO1)C1C=CN2C(C=1)=CC(=C2C1(CC1)C1NC(=O)ON=1)C(=O)N1CCC2=NN(C(=C2[C@@H]1C)N1C=CN(C2C=CC3=C(C=NN3C)C=2F)C1=O)C1=CC(C2CC2)=C(F)C=C1 |
| Inchi | InChI=1S/C48H46F2N10O5/c1-26-39-36(53-60(30-7-8-35(49)32(22-30)27-5-6-27)42(39)59-19-18-58(46(59)63)38-10-9-37-34(40(38)50)25-51-55(37)4)12-17-56(26)43(61)33-23-31-21-28(29-13-20-64-47(2,3)24-29)11-16-57(31)41(33)48(14-15-48)44-52-45(62)65-54-44/h7-11,16,18-19,21-23,25-27,29H,5-6,12-15,17,20,24H2,1-4H3,(H,52,54,62)/t26-,29+/m0/s1 |
| Density | |
| Smiles | C[C@H]1C2=C(N(N=C2CCN1C(=O)C3=C(N4C=CC(=CC4=C3)[C@@H]5CCOC(C5)(C)C)C6(CC6)C7=NOC(=O)N7)C8=CC(=C(C=C8)F)C9CC9)N1C=CN(C1=O)C1=C(C2=C(C=C1)N(N=C2)C)F |
| MDL No. | |
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| Exact Mass | 880.36207 |
| Chirality | |
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| HS Code | |
| Cas No. | 2758659-09-3 |
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Related Literature
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