General Information of the Compound
| Compound ID |
CP0576080
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| Compound Name |
2-[3-[(3-fluorobenzoyl)amino]phenyl]-4-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazole-5-carboxylic acid
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| Structure |
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| Formula |
C28H26FN5O3S
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| Molecular Weight |
531.613
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(O)=O)-c2cccc(NC(=O)c3cccc(F)c3)c2)cc1
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| InChI |
InChI=1S/C28H26FN5O3S/c1-33-12-14-34(15-13-33)23-10-8-21(9-11-23)30-25-24(28(36)37)38-27(32-25)19-5-3-7-22(17-19)31-26(35)18-4-2-6-20(29)16-18/h2-11,16-17,30H,12-15H2,1H3,(H,31,35)(H,36,37)
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| InChIKey |
QVCCBJLRSCGOAF-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