General Information of the Compound
| Compound ID |
CP0525773
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| Compound Name |
4-ethoxy-N-[[6-[(4-methylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-yl]carbamoyl]-3-morpholin-4-ylbenzamide
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| Structure |
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| Formula |
C27H34N6O4S
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| Molecular Weight |
538.674
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| Canonical SMILES |
CCOc1ccc(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1
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| InChI |
InChI=1S/C27H34N6O4S/c1-3-37-23-7-5-20(17-22(23)33-12-14-36-15-13-33)25(34)29-26(35)30-27-28-21-6-4-19(16-24(21)38-27)18-32-10-8-31(2)9-11-32/h4-7,16-17H,3,8-15,18H2,1-2H3,(H2,28,29,30,34,35)
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| InChIKey |
VPJXSNRUCRCFMI-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