General Information of the Compound
| Compound ID |
CP0159383
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| Compound Name |
N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide
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| Structure |
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| Formula |
C27H30N4O4S2
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| Molecular Weight |
538.695
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| Canonical SMILES |
CC(=O)N1CCN(CC1)C(=O)c1cc(CSc2cnc(NC(=O)c3ccc(CO)cc3)s2)cc(C)c1C
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| InChI |
InChI=1S/C27H30N4O4S2/c1-17-12-21(13-23(18(17)2)26(35)31-10-8-30(9-11-31)19(3)33)16-36-24-14-28-27(37-24)29-25(34)22-6-4-20(15-32)5-7-22/h4-7,12-14,32H,8-11,15-16H2,1-3H3,(H,28,29,34)
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| InChIKey |
HDWPLUHUCHVGAN-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