General Information of the Compound
| Compound ID |
CP0568650
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| Compound Name |
3-methoxy-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 |
C30H33N3O4S2
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| Molecular Weight |
563.745
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| Canonical SMILES |
CCCC(C)Oc1ccc(cc1OC)C(=O)Nc1ccc2nc(SCC(=O)N[C@@H](C)c3ccccc3)sc2c1
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| InChI |
InChI=1S/C30H33N3O4S2/c1-5-9-19(2)37-25-15-12-22(16-26(25)36-4)29(35)32-23-13-14-24-27(17-23)39-30(33-24)38-18-28(34)31-20(3)21-10-7-6-8-11-21/h6-8,10-17,19-20H,5,9,18H2,1-4H3,(H,31,34)(H,32,35)/t19?,20-/m0/s1
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| InChIKey |
VLQWTIZEFJDBDQ-ANYOKISRSA-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