General Information of the Compound
| Compound ID |
CP0393795
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| Compound Name |
N,N-dibutyl-3-[(3R)-7-[3-(dimethylamino)phenoxy]-2,5-dioxo-8-[(2-phenylmethoxyacetyl)amino]-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide
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| Structure |
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| Formula |
C37H47N5O6
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| Molecular Weight |
657.812
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| Canonical SMILES |
CCCCN(CCCC)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/C37H47N5O6/c1-5-7-19-42(20-8-6-2)35(44)18-17-30-37(46)40-31-23-32(38-34(43)25-47-24-26-13-10-9-11-14-26)33(22-29(31)36(45)39-30)48-28-16-12-15-27(21-28)41(3)4/h9-16,21-23,30H,5-8,17-20,24-25H2,1-4H3,(H,38,43)(H,39,45)(H,40,46)/t30-/m1/s1
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| InChIKey |
BZRLHYRRPVWAPY-SSEXGKCCSA-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