General Information of the Compound
| Compound ID |
CP0423815
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| Compound Name |
4-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2,5-dimethylfuran-3-carboxylic acid
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| Structure |
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| Formula |
C27H35N3O3S
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| Molecular Weight |
481.662
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| Canonical SMILES |
CC(C)CN(C1CCCCC1)c1ccc(cc1Nc1nc(C)cs1)-c1c(C)oc(C)c1C(O)=O
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| InChI |
InChI=1S/C27H35N3O3S/c1-16(2)14-30(21-9-7-6-8-10-21)23-12-11-20(13-22(23)29-27-28-17(3)15-34-27)24-18(4)33-19(5)25(24)26(31)32/h11-13,15-16,21H,6-10,14H2,1-5H3,(H,28,29)(H,31,32)
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| InChIKey |
GJKBQIHACPNFBN-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