General Information of the Compound
| Compound ID |
CP0023363
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| Compound Name |
(3S)-4-anilino-3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C20H22N6O5
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| Molecular Weight |
426.433
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| Canonical SMILES |
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C20H22N6O5/c21-20(22)25-14-8-4-5-12(9-14)18(30)23-11-16(27)26-15(10-17(28)29)19(31)24-13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H,23,30)(H,24,31)(H,26,27)(H,28,29)(H4,21,22,25)/t15-/m0/s1
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| InChIKey |
VVIGVXDFMPIPRO-HNNXBMFYSA-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: PT01771, E3 ubiquitin-protein ligase Mdm2
Protein ID: PT02099, Protein Mdm4