General Information of the Compound
| Compound ID |
CP0031017
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| Compound Name |
(3S)-4-(benzhydrylamino)-3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C27H28N6O5
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| Molecular Weight |
516.558
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| Canonical SMILES |
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H28N6O5/c28-27(29)31-20-13-7-12-19(14-20)25(37)30-16-22(34)32-21(15-23(35)36)26(38)33-24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,21,24H,15-16H2,(H,30,37)(H,32,34)(H,33,38)(H,35,36)(H4,28,29,31)/t21-/m0/s1
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| InChIKey |
QKCFDPUKGKJIML-NRFANRHFSA-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