General Information of the Compound
| Compound ID |
CP0579166
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| Compound Name |
ethyl 4-[3-[cyclohexanecarbonyl-[[4-(2-methoxy-1,3-oxazol-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 |
C32H39N3O5S
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| Molecular Weight |
577.747
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| Canonical SMILES |
CCOC(=O)c1nc(cs1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1cnc(OC)o1)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C32H39N3O5S/c1-3-39-29(37)27-34-25(20-41-27)23-10-7-11-24(18-23)35(28(36)22-8-5-4-6-9-22)21-31-12-15-32(16-13-31,17-14-31)26-19-33-30(38-2)40-26/h7,10-11,18-20,22H,3-6,8-9,12-17,21H2,1-2H3
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| InChIKey |
QUWORKZYJOYGDD-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