General Information of the Compound
| Compound ID |
CP0129941
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| Compound Name |
2-methoxy-3-methyl-N-[2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-pentan-2-yloxybenzamide
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| Structure |
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| Formula |
C31H35N3O4S2
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| Molecular Weight |
577.772
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| Canonical SMILES |
CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)c(OC)c1C
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| InChI |
InChI=1S/C31H35N3O4S2/c1-6-10-19(2)38-26-16-14-24(29(37-5)20(26)3)30(36)33-23-13-15-25-27(17-23)40-31(34-25)39-18-28(35)32-21(4)22-11-8-7-9-12-22/h7-9,11-17,19,21H,6,10,18H2,1-5H3,(H,32,35)(H,33,36)/t19?,21-/m0/s1
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| InChIKey |
YDLNHZCBARMOQT-QWAKEFERSA-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
Protein ID: PT02212, Signal transducer and activator of transcription 1-alpha/beta
Protein ID: PT01503, Signal transducer and activator of transcription 3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000082 | HEL | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2410 nM
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TI
LI
LO
TS
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