General Information of the Compound
| Compound ID |
CP0492570
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| Compound Name |
US9481682, 199
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| Structure |
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| Formula |
C31H31F3N6O4
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| Molecular Weight |
608.621
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| Canonical SMILES |
COCCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C31H31F3N6O4/c1-43-13-14-44-24-15-18(30(42)37-21-4-2-3-20(16-21)31(32,33)34)6-9-23(24)26-27-28(35)36-11-12-39(27)29(38-26)19-5-7-22-8-10-25(41)40(22)17-19/h2-4,6,9,11-12,15-16,19,22H,5,7-8,10,13-14,17H2,1H3,(H2,35,36)(H,37,42)/t19-,22+/m1/s1
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| InChIKey |
SWPJNJVPWVHTPQ-KNQAVFIVSA-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