General Information of the Compound
| Compound ID |
CP0563468
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| Compound Name |
3-bromo-N-[2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-pentan-2-yloxybenzamide
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| Formula |
C29H30BrN3O3S2
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| Molecular Weight |
612.615
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| Canonical SMILES |
CCCC(C)Oc1ccc(cc1Br)C(=O)Nc1ccc2nc(SCC(=O)N[C@@H](C)c3ccccc3)sc2c1
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| InChI |
InChI=1S/C29H30BrN3O3S2/c1-4-8-18(2)36-25-14-11-21(15-23(25)30)28(35)32-22-12-13-24-26(16-22)38-29(33-24)37-17-27(34)31-19(3)20-9-6-5-7-10-20/h5-7,9-16,18-19H,4,8,17H2,1-3H3,(H,31,34)(H,32,35)/t18?,19-/m0/s1
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| InChIKey |
RSPWYXKQBBLGFS-GGYWPGCISA-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