General Information of the Compound
| Compound ID |
CP0576825
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| Compound Name |
3-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
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| Structure |
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| Formula |
C26H34N4OS
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| Molecular Weight |
450.652
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| Canonical SMILES |
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4ccc(cc4)C(C)(C)C)CC3)nc12
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| InChI |
InChI=1S/C26H34N4OS/c1-19-6-5-7-22-24(19)28-25(32-22)27-23(31)12-13-29-14-16-30(17-15-29)18-20-8-10-21(11-9-20)26(2,3)4/h5-11H,12-18H2,1-4H3,(H,27,28,31)
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| InChIKey |
LFHVPNSGFKWKDJ-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