General Information of the Compound
| Compound ID |
CP0393844
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| Compound Name |
N-[(3R)-3-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]-7-[3-(dimethylamino)phenoxy]-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-8-yl]-2-[[4-(trifluoromethyl)phenyl]methoxy]acetamide
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| Structure |
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| Formula |
C35H36F5N5O6
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| Molecular Weight |
717.692
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| Canonical SMILES |
CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)N4CCC(F)(F)CC4)NC3=O)cc2NC(=O)COCc2ccc(cc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C35H36F5N5O6/c1-44(2)23-4-3-5-24(16-23)51-29-17-25-27(18-28(29)41-30(46)20-50-19-21-6-8-22(9-7-21)35(38,39)40)43-33(49)26(42-32(25)48)10-11-31(47)45-14-12-34(36,37)13-15-45/h3-9,16-18,26H,10-15,19-20H2,1-2H3,(H,41,46)(H,42,48)(H,43,49)/t26-/m1/s1
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| InChIKey |
RRAKXIOXRVSFLH-AREMUKBSSA-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: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2