General Information of the Compound
| Compound ID |
CP0471149
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| Compound Name |
3-(2-((R)-1-(4-sec-butylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C24H29N3O5
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| Molecular Weight |
439.512
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| Canonical SMILES |
CCC(C)c1coc(c1)[C@@H](CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
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| InChI |
InChI=1S/C24H29N3O5/c1-6-13(3)14-11-18(32-12-14)16(7-2)25-19-20(23(30)22(19)29)26-17-10-8-9-15(21(17)28)24(31)27(4)5/h8-13,16,25-26,28H,6-7H2,1-5H3/t13?,16-/m1/s1
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| InChIKey |
QIFFSXAXKXBABE-FQNRMIAFSA-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