General Information of the Compound
| Compound ID |
CP0394543
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| Compound Name |
methyl 3-[(3R)-8-[[2-[(4-tert-butylphenyl)methoxy]acetyl]amino]-7-[3-(dimethylamino)phenoxy]-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoate
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| Structure |
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| Formula |
C34H40N4O7
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| Molecular Weight |
616.715
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| Canonical SMILES |
COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc(cc3)C(C)(C)C)cc2NC1=O
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| InChI |
InChI=1S/C34H40N4O7/c1-34(2,3)22-12-10-21(11-13-22)19-44-20-30(39)35-28-18-27-25(17-29(28)45-24-9-7-8-23(16-24)38(4)5)32(41)36-26(33(42)37-27)14-15-31(40)43-6/h7-13,16-18,26H,14-15,19-20H2,1-6H3,(H,35,39)(H,36,41)(H,37,42)/t26-/m1/s1
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| InChIKey |
GFJUUKKAAIPXCY-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