General Information of the Compound
| Compound ID |
CP0542515
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| Compound Name |
(2S,3R)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-3-(2,2,2-trifluoroethyl)butanediamide
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| Structure |
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| Formula |
C25H27F3N4O3
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| Molecular Weight |
488.51
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| Canonical SMILES |
CCC[C@@H]([C@@H](CC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O
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| InChI |
InChI=1S/C25H27F3N4O3/c1-3-9-16(21(29)33)18(14-25(26,27)28)23(34)31-22-24(35)32(2)19-13-8-7-12-17(19)20(30-22)15-10-5-4-6-11-15/h4-8,10-13,16,18,22H,3,9,14H2,1-2H3,(H2,29,33)(H,31,34)/t16-,18+,22+/m0/s1
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| InChIKey |
OTUPLGMOMNWEEM-AQOAWAETSA-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