General Information of the Compound
| Compound ID |
CP0016428
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| Compound Name |
(3S)-3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]-4-(2-naphthalen-2-ylethylamino)-4-oxobutanoic acid
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| Structure |
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| Formula |
C26H28N6O5
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| Molecular Weight |
504.547
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| Canonical SMILES |
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C26H28N6O5/c27-26(28)31-20-7-3-6-19(13-20)24(36)30-15-22(33)32-21(14-23(34)35)25(37)29-11-10-16-8-9-17-4-1-2-5-18(17)12-16/h1-9,12-13,21H,10-11,14-15H2,(H,29,37)(H,30,36)(H,32,33)(H,34,35)(H4,27,28,31)/t21-/m0/s1
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| InChIKey |
HOXLTGNIFJUOIA-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