General Information of the Compound
| Compound ID |
CP0550453
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| Compound Name |
ethyl 4-[3-[cyclohexanecarbonyl-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]amino]phenyl]-1,3-thiazole-2-carboxylate
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| Structure |
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| Formula |
C33H40N4O4S
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| Molecular Weight |
588.774
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| Canonical SMILES |
CCOC(=O)c1nc(cs1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C33H40N4O4S/c1-2-40-30(39)28-34-26(20-42-28)24-9-6-10-25(19-24)37(29(38)23-7-4-3-5-8-23)21-32-13-16-33(17-14-32,18-15-32)31-35-27(36-41-31)22-11-12-22/h6,9-10,19-20,22-23H,2-5,7-8,11-18,21H2,1H3
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| InChIKey |
HESOEIFBFGIYEQ-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