General Information of the Compound
| Compound ID |
CP0526673
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| Compound Name |
Benzooxazol-2-yl-{5-[4,5-bis-(4-dimethylamino-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-ethyl-amine
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| Structure |
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| Formula |
C33H40N6OS
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| Molecular Weight |
568.791
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| Canonical SMILES |
CCN(CCCCCSc1nc(c([nH]1)-c1ccc(cc1)N(C)C)-c1ccc(cc1)N(C)C)c1nc2ccccc2o1
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| InChI |
InChI=1S/C33H40N6OS/c1-6-39(33-34-28-12-8-9-13-29(28)40-33)22-10-7-11-23-41-32-35-30(24-14-18-26(19-15-24)37(2)3)31(36-32)25-16-20-27(21-17-25)38(4)5/h8-9,12-21H,6-7,10-11,22-23H2,1-5H3,(H,35,36)
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| InChIKey |
HGHJGGWOLLBWQG-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