General Information of the Compound
| Compound ID |
CP0569567
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| Compound Name |
3-[4-[2-[di(propan-2-yl)amino]ethyl]piperazin-1-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
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| Structure |
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| Formula |
C23H37N5OS
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| Molecular Weight |
431.65
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| Canonical SMILES |
CC(C)N(CCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1)C(C)C
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| InChI |
InChI=1S/C23H37N5OS/c1-17(2)28(18(3)4)16-15-27-13-11-26(12-14-27)10-9-21(29)24-23-25-22-19(5)7-6-8-20(22)30-23/h6-8,17-18H,9-16H2,1-5H3,(H,24,25,29)
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| InChIKey |
RKANPVDHWNNOIX-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