General Information of the Compound
| Compound ID |
CP0516840
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| Compound Name |
US9169240, 13
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| Structure |
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| Formula |
C28H21F3N4O2S
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| Molecular Weight |
534.563
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CCC(CC1)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C28H21F3N4O2S/c29-28(30,31)20-7-9-21(10-8-20)35-14-12-18(13-15-35)25-33-34-26(37-25)24(36)27-32-22-11-6-19(16-23(22)38-27)17-4-2-1-3-5-17/h1-11,16,18H,12-15H2
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| InChIKey |
BTMXLAIWDLKMLH-UHFFFAOYSA-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