General Information of the Compound
| Compound ID |
CP0424768
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| Compound Name |
(S)-3-(3,4-dioxo-2-(1-phenylethylamino)cyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C21H21N3O4
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| Molecular Weight |
379.416
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| Canonical SMILES |
C[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1
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| InChI |
InChI=1S/C21H21N3O4/c1-12(13-8-5-4-6-9-13)22-16-17(20(27)19(16)26)23-15-11-7-10-14(18(15)25)21(28)24(2)3/h4-12,22-23,25H,1-3H3/t12-/m0/s1
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| InChIKey |
UPKKNBLBSMFFIU-LBPRGKRZSA-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