General Information of the Compound
| Compound ID |
CP0466315
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| Compound Name |
6-[[6-[(dimethylamino)methyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]hexanamide
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| Structure |
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| Formula |
C28H39N3O2S
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| Molecular Weight |
481.706
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccc(CN(C)C)cc2o1
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| InChI |
InChI=1S/C28H39N3O2S/c1-19(2)22-11-10-12-23(20(3)4)27(22)30-26(32)13-8-7-9-16-34-28-29-24-15-14-21(18-31(5)6)17-25(24)33-28/h10-12,14-15,17,19-20H,7-9,13,16,18H2,1-6H3,(H,30,32)
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| InChIKey |
BMPBCKPDWXNJAA-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