General Information of the Compound
| Compound ID |
CP0559709
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| Compound Name |
N-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-butyl-5-chloro-6-nitro-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C33H36ClN5O5S
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| Molecular Weight |
650.201
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| Canonical SMILES |
CCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2cc(Cl)c(cc2o1)[N+]([O-])=O
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| InChI |
InChI=1S/C33H36ClN5O5S/c1-4-5-17-38(33-35-27-20-26(34)28(39(40)41)21-29(27)44-33)18-7-6-8-19-45-32-36-30(22-9-13-24(42-2)14-10-22)31(37-32)23-11-15-25(43-3)16-12-23/h9-16,20-21H,4-8,17-19H2,1-3H3,(H,36,37)
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| InChIKey |
MBDIZYCPOJANOS-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