General Information of the Compound
| Compound ID |
CP0483915
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| Compound Name |
US9206173, 5
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| Structure |
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| Formula |
C26H24F4N6O2
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| Molecular Weight |
528.51
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| Canonical SMILES |
C[C@H](Nc1nc2CCN(Cc2c(=O)n1N(C)C)C(=O)c1ccc(cc1F)C#N)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H24F4N6O2/c1-15(17-5-7-18(8-6-17)26(28,29)30)32-25-33-22-10-11-35(14-20(22)24(38)36(25)34(2)3)23(37)19-9-4-16(13-31)12-21(19)27/h4-9,12,15H,10-11,14H2,1-3H3,(H,32,33)/t15-/m0/s1
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| InChIKey |
UQYHBYGMRLHCGS-HNNXBMFYSA-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