General Information of the Compound
| Compound ID |
CP0523931
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| Compound Name |
US9206173, 95
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| Structure |
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| Formula |
C26H23F4N5O3
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| Molecular Weight |
529.494
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| Canonical SMILES |
CCOn1c(N[C@H](C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(cc1F)C#N
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| InChI |
InChI=1S/C26H23F4N5O3/c1-3-38-35-24(37)20-14-34(23(36)19-9-4-16(13-31)12-21(19)27)11-10-22(20)33-25(35)32-15(2)17-5-7-18(8-6-17)26(28,29)30/h4-9,12,15H,3,10-11,14H2,1-2H3,(H,32,33)/t15-/m1/s1
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| InChIKey |
TUNWVDSPXXVZAA-OAHLLOKOSA-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