General Information of the Compound
| Compound ID |
CP0075454
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| Compound Name |
N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
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| Structure |
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| Formula |
C30H36N6O3S2
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| Molecular Weight |
592.791
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| Canonical SMILES |
CC(=O)N1CCN(CC1)C(=O)c1cc(CSc2cnc(NC(=O)c3ccc(cc3)N3CCNCC3)s2)cc(C)c1C
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| InChI |
InChI=1S/C30H36N6O3S2/c1-20-16-23(17-26(21(20)2)29(39)36-14-12-34(13-15-36)22(3)37)19-40-27-18-32-30(41-27)33-28(38)24-4-6-25(7-5-24)35-10-8-31-9-11-35/h4-7,16-18,31H,8-15,19H2,1-3H3,(H,32,33,38)
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| InChIKey |
PFFUHUKZADCSFP-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