General Information of the Compound
| Compound ID |
CP0024083
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| Compound Name |
(3S)-4-(benzylamino)-3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C21H24N6O5
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| Molecular Weight |
440.46
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| Canonical SMILES |
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C21H24N6O5/c22-21(23)26-15-8-4-7-14(9-15)19(31)25-12-17(28)27-16(10-18(29)30)20(32)24-11-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H,24,32)(H,25,31)(H,27,28)(H,29,30)(H4,22,23,26)/t16-/m0/s1
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| InChIKey |
ZMKLPAJURKFWIQ-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