General Information of the Compound
| Compound ID |
CP0418610
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| Compound Name |
3-methyl-N-[2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-[(2R)-pentan-2-yl]oxybenzamide
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| Formula |
C30H33N3O3S2
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| Molecular Weight |
547.746
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| Canonical SMILES |
CCC[C@@H](C)Oc1ccc(cc1C)C(=O)Nc1ccc2nc(SCC(=O)N[C@@H](C)c3ccccc3)sc2c1
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| InChI |
InChI=1S/C30H33N3O3S2/c1-5-9-20(3)36-26-15-12-23(16-19(26)2)29(35)32-24-13-14-25-27(17-24)38-30(33-25)37-18-28(34)31-21(4)22-10-7-6-8-11-22/h6-8,10-17,20-21H,5,9,18H2,1-4H3,(H,31,34)(H,32,35)/t20-,21+/m1/s1
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| InChIKey |
NJQONGHAIYGHFF-RTWAWAEBSA-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