General Information of the Compound
| Compound ID |
CP0470005
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| Compound Name |
3-[(3R)-7-[3-(dimethylamino)phenoxy]-2,5-dioxo-8-[(2-phenylmethoxyacetyl)amino]-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N,N-diethylpropanamide
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| Structure |
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| Formula |
C33H39N5O6
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| Molecular Weight |
601.704
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| Canonical SMILES |
CCN(CC)C(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O
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| InChI |
InChI=1S/C33H39N5O6/c1-5-38(6-2)31(40)16-15-26-33(42)36-27-19-28(34-30(39)21-43-20-22-11-8-7-9-12-22)29(18-25(27)32(41)35-26)44-24-14-10-13-23(17-24)37(3)4/h7-14,17-19,26H,5-6,15-16,20-21H2,1-4H3,(H,34,39)(H,35,41)(H,36,42)/t26-/m1/s1
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| InChIKey |
NNQQODZYTLJQRO-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