General Information of the Compound
| Compound ID |
CP0533232
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| Compound Name |
ethyl 2-[3-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylate
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| Structure |
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| Formula |
C31H33N5O4S
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| Molecular Weight |
571.703
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| Canonical SMILES |
CCOC(=O)c1sc(nc1Nc1ccc(cc1)N1CCOCC1)-c1cccc(NC(=O)c2ccc(cc2)N(C)C)c1
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| InChI |
InChI=1S/C31H33N5O4S/c1-4-40-31(38)27-28(32-23-10-14-26(15-11-23)36-16-18-39-19-17-36)34-30(41-27)22-6-5-7-24(20-22)33-29(37)21-8-12-25(13-9-21)35(2)3/h5-15,20,32H,4,16-19H2,1-3H3,(H,33,37)
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| InChIKey |
OLOCBXIWWNKMFS-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