General Information of the Compound
| Compound ID |
CP0450941
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| Compound Name |
N-[2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-pentan-2-yloxy-3-propylbenzamide
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| Formula |
C32H37N3O3S2
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| Molecular Weight |
575.8
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| Canonical SMILES |
CCCC(C)Oc1ccc(cc1CCC)C(=O)Nc1ccc2nc(SCC(=O)N[C@@H](C)c3ccccc3)sc2c1
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| InChI |
InChI=1S/C32H37N3O3S2/c1-5-10-21(3)38-28-17-14-25(18-24(28)11-6-2)31(37)34-26-15-16-27-29(19-26)40-32(35-27)39-20-30(36)33-22(4)23-12-8-7-9-13-23/h7-9,12-19,21-22H,5-6,10-11,20H2,1-4H3,(H,33,36)(H,34,37)/t21?,22-/m0/s1
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| InChIKey |
AIJYFDFCJJHRDE-KEKNWZKVSA-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