General Information of the Compound
| Compound ID |
CP0470004
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| Compound Name |
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]-2-phenylmethoxyacetamide
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| Structure |
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| Formula |
C34H39N5O6
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| Molecular Weight |
613.715
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| Canonical SMILES |
CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)N4CCCCC4)NC3=O)cc2NC(=O)COCc2ccccc2)c1
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| InChI |
InChI=1S/C34H39N5O6/c1-38(2)24-12-9-13-25(18-24)45-30-19-26-28(20-29(30)35-31(40)22-44-21-23-10-5-3-6-11-23)37-34(43)27(36-33(26)42)14-15-32(41)39-16-7-4-8-17-39/h3,5-6,9-13,18-20,27H,4,7-8,14-17,21-22H2,1-2H3,(H,35,40)(H,36,42)(H,37,43)/t27-/m1/s1
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| InChIKey |
WYRRTOXWVNHNAS-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