General Information of the Compound
| Compound ID |
CP0419464
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| Compound Name |
US9427442, 5
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| Structure |
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| Formula |
C28H28ClF5N4O3
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| Molecular Weight |
599
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| Canonical SMILES |
NC(=O)[C@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(Cl)c2NC1=O)C1CCC(F)(F)CC1
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| InChI |
InChI=1S/C28H28ClF5N4O3/c29-19-8-4-7-18-21(16-5-2-1-3-6-16)36-24(26(41)37-22(18)19)38-25(40)17(11-14-28(32,33)34)20(23(35)39)15-9-12-27(30,31)13-10-15/h1-8,15,17,20,24H,9-14H2,(H2,35,39)(H,37,41)(H,38,40)/t17-,20+,24-/m1/s1
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| InChIKey |
HDKLJEMMROHEMQ-VWQFJMCTSA-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