General Information of the Compound
| Compound ID |
CP0409974
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| Compound Name |
(2R,3R)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-[3-(trifluoromethyl)phenyl]-3-(3,3,3-trifluoropropyl)butanediamide
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| Structure |
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| Formula |
C30H26F6N4O3
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| Molecular Weight |
604.551
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| Canonical SMILES |
CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(c2)C(F)(F)F)C1=O)c1ccccc1
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| InChI |
InChI=1S/C30H26F6N4O3/c1-40-22-13-6-5-12-20(22)24(17-8-3-2-4-9-17)38-26(28(40)43)39-27(42)21(14-15-29(31,32)33)23(25(37)41)18-10-7-11-19(16-18)30(34,35)36/h2-13,16,21,23,26H,14-15H2,1H3,(H2,37,41)(H,39,42)/t21-,23+,26-/m1/s1
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| InChIKey |
SMTPPNKOJYQIIG-VIICAESSSA-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