General Information of the Compound
| Compound ID |
CP0551689
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| Compound Name |
N-tert-butyl-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 |
C33H39N5O6
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| Molecular Weight |
601.704
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| Canonical SMILES |
CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)NC(C)(C)C)NC3=O)cc2NC(=O)COCc2ccccc2)c1
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| InChI |
InChI=1S/C33H39N5O6/c1-33(2,3)37-29(39)15-14-25-32(42)36-26-18-27(34-30(40)20-43-19-21-10-7-6-8-11-21)28(17-24(26)31(41)35-25)44-23-13-9-12-22(16-23)38(4)5/h6-13,16-18,25H,14-15,19-20H2,1-5H3,(H,34,40)(H,35,41)(H,36,42)(H,37,39)/t25-/m1/s1
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| InChIKey |
VOYRVLGBGAGOOA-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