General Information of the Compound
| Compound ID |
CP0466003
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| Compound Name |
US9481682, 127
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| Structure |
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| Formula |
C28H24F3N7O4
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| Molecular Weight |
579.539
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3C(O)=O)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C28H24F3N7O4/c29-28(30,31)16-7-8-33-20(12-16)35-26(40)14-2-5-18(19(11-14)27(41)42)22-23-24(32)34-9-10-37(23)25(36-22)15-1-3-17-4-6-21(39)38(17)13-15/h2,5,7-12,15,17H,1,3-4,6,13H2,(H2,32,34)(H,41,42)(H,33,35,40)/t15-,17+/m1/s1
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| InChIKey |
FSMBYWCFFPAZQI-WBVHZDCISA-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