General Information of the Compound
| Compound ID |
CP0081515
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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-propylpropanamide
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| Structure |
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| Formula |
C32H37N5O6
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| Molecular Weight |
587.677
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| Canonical SMILES |
CCCNC(=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/C32H37N5O6/c1-4-15-33-29(38)14-13-25-32(41)36-26-18-27(34-30(39)20-42-19-21-9-6-5-7-10-21)28(17-24(26)31(40)35-25)43-23-12-8-11-22(16-23)37(2)3/h5-12,16-18,25H,4,13-15,19-20H2,1-3H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t25-/m1/s1
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| InChIKey |
MDXBPTFCJUBGJD-RUZDIDTESA-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