General Information of the Compound
| Compound ID |
CP0472375
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| Compound Name |
2-[(4-chlorophenyl)methoxy]-N-[(3R)-7-[3-(dimethylamino)phenoxy]-2,5-dioxo-3-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-1H-1,4-benzodiazepin-8-yl]acetamide
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| Structure |
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| Formula |
C34H38ClN5O6
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| Molecular Weight |
648.16
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| Canonical SMILES |
CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)N4CCCCC4)NC3=O)cc2NC(=O)COCc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C34H38ClN5O6/c1-39(2)24-7-6-8-25(17-24)46-30-18-26-28(19-29(30)36-31(41)21-45-20-22-9-11-23(35)12-10-22)38-34(44)27(37-33(26)43)13-14-32(42)40-15-4-3-5-16-40/h6-12,17-19,27H,3-5,13-16,20-21H2,1-2H3,(H,36,41)(H,37,43)(H,38,44)/t27-/m1/s1
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| InChIKey |
PTNGUAZZSDOLCP-HHHXNRCGSA-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