General Information of the Compound
| Compound ID |
CP0387222
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| Compound Name |
N-cyclopropyl-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 |
C32H35N5O6
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| Molecular Weight |
585.661
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| Canonical SMILES |
CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)NC4CC4)NC3=O)cc2NC(=O)COCc2ccccc2)c1
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| InChI |
InChI=1S/C32H35N5O6/c1-37(2)22-9-6-10-23(15-22)43-28-16-24-26(17-27(28)34-30(39)19-42-18-20-7-4-3-5-8-20)36-32(41)25(35-31(24)40)13-14-29(38)33-21-11-12-21/h3-10,15-17,21,25H,11-14,18-19H2,1-2H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t25-/m1/s1
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| InChIKey |
TWSSFDLZBKLERE-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