General Information of the Compound
| Compound ID |
CP0486299
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| Compound Name |
US9427442, 20
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| Structure |
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| Formula |
C25H25ClF4N4O3
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| Molecular Weight |
540.945
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| Canonical SMILES |
NC(=O)[C@@H](CCCF)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(Cl)c2NC1=O
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| InChI |
InChI=1S/C25H25ClF4N4O3/c26-18-10-4-8-17-19(14-6-2-1-3-7-14)32-22(24(37)33-20(17)18)34-23(36)16(11-12-25(28,29)30)15(21(31)35)9-5-13-27/h1-4,6-8,10,15-16,22H,5,9,11-13H2,(H2,31,35)(H,33,37)(H,34,36)/t15-,16+,22+/m0/s1
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| InChIKey |
LOWIEMBYDPEZKM-WJONJSRFSA-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