General Information of the Compound
| Compound ID |
CP0558996
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| Compound Name |
4-ethoxy-N-[[6-[(4-methylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-yl]carbamoyl]-5-morpholin-4-yl-2-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H33F3N6O4S
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| Molecular Weight |
606.671
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| Canonical SMILES |
CCOc1cc(c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1)C(F)(F)F
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| InChI |
InChI=1S/C28H33F3N6O4S/c1-3-41-23-16-20(28(29,30)31)19(15-22(23)37-10-12-40-13-11-37)25(38)33-26(39)34-27-32-21-5-4-18(14-24(21)42-27)17-36-8-6-35(2)7-9-36/h4-5,14-16H,3,6-13,17H2,1-2H3,(H2,32,33,34,38,39)
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| InChIKey |
HJGGPYWWMDRAPX-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