General Information of the Compound
| Compound ID |
CP0466215
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| Compound Name |
US9427442, 17
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| Structure |
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| Formula |
C26H28F4N4O4
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| Molecular Weight |
536.526
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| Canonical SMILES |
COc1ccc2c(NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCCF)C(N)=O)N=C2c2ccccc2)c1
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| InChI |
InChI=1S/C26H28F4N4O4/c1-38-16-9-10-19-20(14-16)32-25(37)23(33-21(19)15-6-3-2-4-7-15)34-24(36)18(11-12-26(28,29)30)17(22(31)35)8-5-13-27/h2-4,6-7,9-10,14,17-18,23H,5,8,11-13H2,1H3,(H2,31,35)(H,32,37)(H,34,36)/t17-,18+,23+/m0/s1
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| InChIKey |
ZIRIDNHDVCSNSH-YZZKKUAISA-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