General Information of the Compound
| Compound ID |
CP0731080
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| Compound Name |
(+/-)-1-(4-(2-(tert-butylthio)-5-chloro-1H-benzo[d]imidazol-6-yl)-3-methylpiperazin-1-yl)propan-2-one
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| Structure |
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| Formula |
C19H27ClN4OS
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| Molecular Weight |
394.972
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| Canonical SMILES |
CC(=O)CN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)C(C)C1
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| InChI |
InChI=1S/C19H27ClN4OS/c1-12-10-23(11-13(2)25)6-7-24(12)17-9-16-15(8-14(17)20)21-18(22-16)26-19(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,22)
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| InChIKey |
MIXYMKFBPWKETL-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