General Information of the Compound
| Compound ID |
CP0512884
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| Compound Name |
US9481682, 113
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| Structure |
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| Formula |
C31H32F3N7O3
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| Molecular Weight |
607.637
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| Canonical SMILES |
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C31H32F3N7O3/c1-4-44-22-13-17(28(42)38-23-14-19(9-10-36-23)31(32,33)34)6-8-21(22)24-25-26(35)37-11-12-40(25)27(39-24)18-5-7-20-15-30(2,3)29(43)41(20)16-18/h6,8-14,18,20H,4-5,7,15-16H2,1-3H3,(H2,35,37)(H,36,38,42)/t18-,20+/m1/s1
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| InChIKey |
BYDNIVGAPQJYRZ-QUCCMNQESA-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