General Information of the Compound
| Compound ID |
CP0539484
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| Compound Name |
US9427442, 24
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| Structure |
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| Formula |
C26H26ClF5N4O3
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| Molecular Weight |
572.962
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| Canonical SMILES |
CC(F)(F)CC[C@@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(Cl)c2NC1=O)C(N)=O
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| InChI |
InChI=1S/C26H26ClF5N4O3/c1-25(28,29)12-10-15(21(33)37)16(11-13-26(30,31)32)23(38)36-22-24(39)35-20-17(8-5-9-18(20)27)19(34-22)14-6-3-2-4-7-14/h2-9,15-16,22H,10-13H2,1H3,(H2,33,37)(H,35,39)(H,36,38)/t15-,16+,22+/m0/s1
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| InChIKey |
JULHDMBKEVNXLX-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