General Information of the Compound
| Compound ID |
CP0333453
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| Compound Name |
N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C24H27N5O3S2
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| Molecular Weight |
497.646
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| Canonical SMILES |
CC(=O)N1CCN(CC1)C(=O)c1cc(CSc2cnc(NC(=O)c3ccc[nH]3)s2)cc(C)c1C
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| InChI |
InChI=1S/C24H27N5O3S2/c1-15-11-18(12-19(16(15)2)23(32)29-9-7-28(8-10-29)17(3)30)14-33-21-13-26-24(34-21)27-22(31)20-5-4-6-25-20/h4-6,11-13,25H,7-10,14H2,1-3H3,(H,26,27,31)
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| InChIKey |
YOJWQVWRBNADJO-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