General Information of the Compound
| Compound ID |
CP0492571
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| Compound Name |
US9481682, 201
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| Structure |
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| Formula |
C31H32F3N7O4
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| Molecular Weight |
623.636
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| Canonical SMILES |
CCOCCOc1cc(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/C31H32F3N7O4/c1-2-44-13-14-45-23-15-18(30(43)38-24-16-20(9-10-36-24)31(32,33)34)4-7-22(23)26-27-28(35)37-11-12-40(27)29(39-26)19-3-5-21-6-8-25(42)41(21)17-19/h4,7,9-12,15-16,19,21H,2-3,5-6,8,13-14,17H2,1H3,(H2,35,37)(H,36,38,43)/t19-,21+/m1/s1
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| InChIKey |
HBDCZNNTRIHQRA-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