General Information of the Compound
| Compound ID |
CP0563582
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| Compound Name |
2-[3-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid
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| Structure |
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| Formula |
C29H29N5O4S
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| Molecular Weight |
543.649
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)c(s1)C(O)=O
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| InChI |
InChI=1S/C29H29N5O4S/c1-33(2)23-10-6-19(7-11-23)27(35)31-22-5-3-4-20(18-22)28-32-26(25(39-28)29(36)37)30-21-8-12-24(13-9-21)34-14-16-38-17-15-34/h3-13,18,30H,14-17H2,1-2H3,(H,31,35)(H,36,37)
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| InChIKey |
HZBXZTXVXNOYKN-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