General Information of the Compound
| Compound ID |
CP0311474
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| Compound Name |
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4-piperidinecarboxamide
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| Structure |
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| Formula |
C25H38N4OS
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| Molecular Weight |
442.673
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| Canonical SMILES |
CC1CC(C)CN(CCCNC(=O)C2CCN(CC2)c2nc3c(C)cc(C)cc3s2)C1
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| InChI |
InChI=1S/C25H38N4OS/c1-17-13-20(4)23-22(14-17)31-25(27-23)29-10-6-21(7-11-29)24(30)26-8-5-9-28-15-18(2)12-19(3)16-28/h13-14,18-19,21H,5-12,15-16H2,1-4H3,(H,26,30)
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| InChIKey |
FJISSFBOLFCTBN-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