General Information of the Compound
| Compound ID |
CP0556714
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| Compound Name |
US9481682, 142
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| Structure |
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| Formula |
C32H34F3N7O3
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| Molecular Weight |
621.664
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| Canonical SMILES |
CC(C)(C)COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C32H34F3N7O3/c1-31(2,3)17-45-23-14-18(30(44)39-24-15-20(10-11-37-24)32(33,34)35)5-8-22(23)26-27-28(36)38-12-13-41(27)29(40-26)19-4-6-21-7-9-25(43)42(21)16-19/h5,8,10-15,19,21H,4,6-7,9,16-17H2,1-3H3,(H2,36,38)(H,37,39,44)/t19-,21+/m1/s1
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| InChIKey |
OTXWLHNHPQGKFM-CTNGQTDRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound