General Information of the Compound
| Compound ID |
CP0488235
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| Compound Name |
4-[4-[bis(2-methylpropyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]-2,5-dimethylfuran-3-carboxylic acid
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| Structure |
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| Formula |
C29H37N3O4
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| Molecular Weight |
491.632
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| Canonical SMILES |
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1c(C)oc(C)c1C(O)=O
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| InChI |
InChI=1S/C29H37N3O4/c1-17(2)15-32(16-18(3)4)25-13-10-22(26-20(6)36-21(7)27(26)28(33)34)14-24(25)31-29(35)30-23-11-8-19(5)9-12-23/h8-14,17-18H,15-16H2,1-7H3,(H,33,34)(H2,30,31,35)
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| InChIKey |
NZDOBUHEUQYFNJ-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