General Information of the Compound
| Compound ID |
CP0484555
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| Compound Name |
Benzooxazol-2-yl-{1-[3-(4,5-diphenyl-1H-imidazol-2-ylsulfanylmethyl)-phenyl]-cyclopentylmethyl}-amine
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| Structure |
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| Formula |
C35H32N4OS
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| Molecular Weight |
556.735
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| Canonical SMILES |
C(Nc1nc2ccccc2o1)C1(CCCC1)c1cccc(CSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c1
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| InChI |
InChI=1S/C35H32N4OS/c1-3-13-26(14-4-1)31-32(27-15-5-2-6-16-27)39-34(38-31)41-23-25-12-11-17-28(22-25)35(20-9-10-21-35)24-36-33-37-29-18-7-8-19-30(29)40-33/h1-8,11-19,22H,9-10,20-21,23-24H2,(H,36,37)(H,38,39)
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| InChIKey |
SNEHKJKNHGZBDI-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