General Information of the Compound
| Compound ID |
CP0566538
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| Compound Name |
2-methoxy-N-[2-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-4-propan-2-yloxybenzamide
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| Structure |
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| Formula |
C30H33N3O5S2
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| Molecular Weight |
579.744
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| Canonical SMILES |
COc1ccc(cc1)[C@H](C)NC(=O)CSc1nc2ccc(NC(=O)c3ccc(OC(C)C)c(C)c3OC)cc2s1
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| InChI |
InChI=1S/C30H33N3O5S2/c1-17(2)38-25-14-12-23(28(37-6)18(25)3)29(35)32-21-9-13-24-26(15-21)40-30(33-24)39-16-27(34)31-19(4)20-7-10-22(36-5)11-8-20/h7-15,17,19H,16H2,1-6H3,(H,31,34)(H,32,35)/t19-/m0/s1
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| InChIKey |
BGQCPYZRDGXROW-IBGZPJMESA-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