General Information of the Compound
| Compound ID |
CP0494941
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| Compound Name |
[4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-phenylmethanone
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| Structure |
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| Formula |
C21H23N5OS
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| Molecular Weight |
393.516
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C21H23N5OS/c1-25-11-13-26(14-12-25)17-9-7-16(8-10-17)23-21-24-20(22)19(28-21)18(27)15-5-3-2-4-6-15/h2-10H,11-14,22H2,1H3,(H,23,24)
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| InChIKey |
JJPWKYIZLQQUOF-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