General Information of the Compound
| Compound ID |
CP0029748
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| Compound Name |
(3S)-3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C22H26N6O6
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| Molecular Weight |
470.486
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| Canonical SMILES |
COc1ccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c2cccc(NC(N)=N)c2)cc1
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| InChI |
InChI=1S/C22H26N6O6/c1-34-16-7-5-13(6-8-16)11-25-21(33)17(10-19(30)31)28-18(29)12-26-20(32)14-3-2-4-15(9-14)27-22(23)24/h2-9,17H,10-12H2,1H3,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1
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| InChIKey |
MIFZAPHWMCAHQZ-KRWDZBQOSA-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