General Information of the Compound
| Compound ID |
CP0539483
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| Compound Name |
US9427442, 9
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| Structure |
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| Formula |
C28H28F6N4O3
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| Molecular Weight |
582.545
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| Canonical SMILES |
Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC1CC(F)(F)C1)C(N)=O)N=C2c1cccc(F)c1
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| InChI |
InChI=1S/C28H28F6N4O3/c1-14-4-2-7-19-21(14)37-26(41)24(36-22(19)16-5-3-6-17(29)11-16)38-25(40)18(8-9-28(32,33)34)20(23(35)39)10-15-12-27(30,31)13-15/h2-7,11,15,18,20,24H,8-10,12-13H2,1H3,(H2,35,39)(H,37,41)(H,38,40)/t18-,20+,24-/m1/s1
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| InChIKey |
HMKRFXHMAJMWSE-LJFZDNNRSA-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
Protein ID: PT04100, Neurogenic locus notch homolog protein 1
Protein ID: PT06709, Recombining binding protein suppressor of hairless