General Information of the Compound
| Compound ID |
CP0489681
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| Compound Name |
US9409915, 57
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| Structure |
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| Formula |
C23H23ClF3N5O2
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| Molecular Weight |
493.917
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| Canonical SMILES |
Cn1nc(c(Cl)c1-c1nc2cc(nc(OCCO)c2[nH]1)-c1ccccc1C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C23H23ClF3N5O2/c1-22(2,3)19-16(24)18(32(4)31-19)20-28-15-11-14(29-21(17(15)30-20)34-10-9-33)12-7-5-6-8-13(12)23(25,26)27/h5-8,11,33H,9-10H2,1-4H3,(H,28,30)
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| InChIKey |
BGTPZTXCQSEPJR-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