General Information of the Compound
| Compound ID |
CP0409359
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| Compound Name |
US9278960, 4-94
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| Structure |
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| Formula |
C23H22F4N4O
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| Molecular Weight |
446.448
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| Canonical SMILES |
CN1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CC1C(F)(F)F
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| InChI |
InChI=1S/C23H22F4N4O/c1-30-8-9-31(13-21(30)23(25,26)27)12-14-2-7-17-18(15-3-5-16(24)6-4-15)11-20(22(28)32)29-19(17)10-14/h2-7,10-11,21H,8-9,12-13H2,1H3,(H2,28,32)
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| InChIKey |
RTBJKRIAGXUNPJ-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