General Information of the Compound
| Compound ID |
CP0024228
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| Compound Name |
(3S)-3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]-4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C24H27N7O5
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| Molecular Weight |
493.524
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| Canonical SMILES |
NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C24H27N7O5/c25-24(26)30-16-5-3-4-14(10-16)22(35)29-13-20(32)31-19(11-21(33)34)23(36)27-9-8-15-12-28-18-7-2-1-6-17(15)18/h1-7,10,12,19,28H,8-9,11,13H2,(H,27,36)(H,29,35)(H,31,32)(H,33,34)(H4,25,26,30)/t19-/m0/s1
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| InChIKey |
KTPKPDHZXPMGRV-IBGZPJMESA-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