General Information of the Compound
| Compound ID |
CP0393791
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| Compound Name |
N-[(3S)-7-[3-(dimethylamino)phenoxy]-3-methyl-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 |
C28H27F3N4O5
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| Molecular Weight |
556.541
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| Canonical SMILES |
C[C@@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(cc3)C(F)(F)F)cc2NC1=O
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| InChI |
InChI=1S/C28H27F3N4O5/c1-16-26(37)34-22-13-23(33-25(36)15-39-14-17-7-9-18(10-8-17)28(29,30)31)24(12-21(22)27(38)32-16)40-20-6-4-5-19(11-20)35(2)3/h4-13,16H,14-15H2,1-3H3,(H,32,38)(H,33,36)(H,34,37)/t16-/m0/s1
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| InChIKey |
ATQIRVQUQOHTPF-INIZCTEOSA-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