General Information of the Compound
| Compound ID |
CP0400691
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| Compound Name |
(2R,3R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3,3,3-trifluoropropyl)butanediamide
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| Structure |
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| Formula |
C26H25F3N6O4
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| Molecular Weight |
542.518
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| Canonical SMILES |
CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2noc(C)n2)C1=O)c1ccccc1
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| InChI |
InChI=1S/C26H25F3N6O4/c1-14-31-22(34-39-14)19(21(30)36)17(12-13-26(27,28)29)24(37)33-23-25(38)35(2)18-11-7-6-10-16(18)20(32-23)15-8-4-3-5-9-15/h3-11,17,19,23H,12-13H2,1-2H3,(H2,30,36)(H,33,37)/t17-,19+,23-/m1/s1
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| InChIKey |
WGYNBTCNYOMMNG-HFJQGTKSSA-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: PT04261, Neurogenic locus notch homolog protein 3