General Information of the Compound
| Compound ID |
CP0960675
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| Compound Name |
3-(3,4-dioxo-2-(tetrahydro-2H-pyran-4-ylamino)cyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
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| Formula |
C18H21N3O5
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| Molecular Weight |
359.382
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| Canonical SMILES |
CN(C)C(=O)c1cccc(/N=c2\c(O)c(O)\c2=N/C2CCOCC2)c1O
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| InChI |
InChI=1S/C18H21N3O5/c1-21(2)18(25)11-4-3-5-12(15(11)22)20-14-13(16(23)17(14)24)19-10-6-8-26-9-7-10/h3-5,10,22-24H,6-9H2,1-2H3/b19-13-,20-14-
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| InChIKey |
GATODIUYSCWOOA-AXPXABNXSA-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