General Information of the Compound
| Compound ID |
CP0393787
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| Compound Name |
methyl 3-[(3R)-8-[[2-[(4-chlorophenyl)methoxy]acetyl]amino]-2,5-dioxo-7-(3-pyrrolidin-1-ylphenoxy)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoate
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| Structure |
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| Formula |
C32H33ClN4O7
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| Molecular Weight |
621.09
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| Canonical SMILES |
COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N3CCCC3)c(NC(=O)COCc3ccc(Cl)cc3)cc2NC1=O
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| InChI |
InChI=1S/C32H33ClN4O7/c1-42-30(39)12-11-25-32(41)36-26-17-27(34-29(38)19-43-18-20-7-9-21(33)10-8-20)28(16-24(26)31(40)35-25)44-23-6-4-5-22(15-23)37-13-2-3-14-37/h4-10,15-17,25H,2-3,11-14,18-19H2,1H3,(H,34,38)(H,35,40)(H,36,41)/t25-/m1/s1
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| InChIKey |
QUNKBIZCLBZCIX-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