General Information of the Compound
| Compound ID |
CP0423812
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| Compound Name |
4-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]-2,5-dimethylfuran-3-carboxylic acid
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| Structure |
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| Formula |
C31H39N3O4
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| Molecular Weight |
517.67
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| Canonical SMILES |
CC(C)CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1c(C)oc(C)c1C(O)=O
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| InChI |
InChI=1S/C31H39N3O4/c1-19(2)18-34(25-9-7-6-8-10-25)27-16-13-23(28-21(4)38-22(5)29(28)30(35)36)17-26(27)33-31(37)32-24-14-11-20(3)12-15-24/h11-17,19,25H,6-10,18H2,1-5H3,(H,35,36)(H2,32,33,37)
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| InChIKey |
NMEMHKFIMDVQLN-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