General Information of the Compound
| Compound ID |
CP0405612
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| Compound Name |
methyl 3-[(3R)-7-[4-chloro-3-(dimethylamino)phenoxy]-2,5-dioxo-8-[(2-phenylmethoxyacetyl)amino]-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoate
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| Structure |
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| Formula |
C30H31ClN4O7
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| Molecular Weight |
595.052
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| Canonical SMILES |
COC(=O)CC[C@H]1NC(=O)c2cc(Oc3ccc(Cl)c(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O
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| InChI |
InChI=1S/C30H31ClN4O7/c1-35(2)25-13-19(9-10-21(25)31)42-26-14-20-23(34-30(39)22(33-29(20)38)11-12-28(37)40-3)15-24(26)32-27(36)17-41-16-18-7-5-4-6-8-18/h4-10,13-15,22H,11-12,16-17H2,1-3H3,(H,32,36)(H,33,38)(H,34,39)/t22-/m1/s1
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| InChIKey |
WSDPXKCDAXUGFU-JOCHJYFZSA-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