General Information of the Compound
| Compound ID |
CP0028384
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| Compound Name |
(3S)-4-[(4-chlorophenyl)methylamino]-3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C21H23ClN6O5
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| Molecular Weight |
474.905
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| Canonical SMILES |
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H23ClN6O5/c22-14-6-4-12(5-7-14)10-25-20(33)16(9-18(30)31)28-17(29)11-26-19(32)13-2-1-3-15(8-13)27-21(23)24/h1-8,16H,9-11H2,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t16-/m0/s1
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| InChIKey |
XFNZYXKVDFJAFI-INIZCTEOSA-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