General Information of the Compound
| Compound ID |
CP0412918
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| Compound Name |
N-[(3R)-7-[3-(dimethylamino)phenoxy]-2,5-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-1,4-benzodiazepin-8-yl]-2-phenylmethoxyacetamide
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| Structure |
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| Formula |
C33H37N5O6
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| Molecular Weight |
599.688
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| Canonical SMILES |
CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)N4CCCC4)NC3=O)cc2NC(=O)COCc2ccccc2)c1
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| InChI |
InChI=1S/C33H37N5O6/c1-37(2)23-11-8-12-24(17-23)44-29-18-25-27(19-28(29)34-30(39)21-43-20-22-9-4-3-5-10-22)36-33(42)26(35-32(25)41)13-14-31(40)38-15-6-7-16-38/h3-5,8-12,17-19,26H,6-7,13-16,20-21H2,1-2H3,(H,34,39)(H,35,41)(H,36,42)/t26-/m1/s1
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| InChIKey |
GZOSSKDSLKKDDB-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