General Information of the Compound
| Compound ID |
CP0459197
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| Compound Name |
3-(2-(2-ethyl-2-(4-fluorobenzoyl)hydrazinyl)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C22H21FN4O5
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| Molecular Weight |
440.431
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| Canonical SMILES |
CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H21FN4O5/c1-4-27(21(31)12-8-10-13(23)11-9-12)25-17-16(19(29)20(17)30)24-15-7-5-6-14(18(15)28)22(32)26(2)3/h5-11,24-25,28H,4H2,1-3H3
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| InChIKey |
OBZIWGKHLUPWCT-UHFFFAOYSA-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: PT01304, C-X-C chemokine receptor type 1
Protein ID: PT01013, C-X-C chemokine receptor type 2