General Information of the Compound
| Compound ID |
CP0576314
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| Compound Name |
[4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
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| Structure |
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| Formula |
C21H21F2N5OS
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| Molecular Weight |
429.496
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(F)cccc2F)cc1
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| InChI |
InChI=1S/C21H21F2N5OS/c1-27-9-11-28(12-10-27)14-7-5-13(6-8-14)25-21-26-20(24)19(30-21)18(29)17-15(22)3-2-4-16(17)23/h2-8H,9-12,24H2,1H3,(H,25,26)
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| InChIKey |
VUUCDNZACXXJSO-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