General Information of the Compound
| Compound ID |
CP0418612
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| Compound Name |
2,4-dimethoxy-N-[2-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methylbenzamide
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| Structure |
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| Formula |
C28H29N3O5S2
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| Molecular Weight |
551.69
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| Canonical SMILES |
COc1ccc(cc1)[C@H](C)NC(=O)CSc1nc2ccc(NC(=O)c3ccc(OC)c(C)c3OC)cc2s1
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| InChI |
InChI=1S/C28H29N3O5S2/c1-16-23(35-4)13-11-21(26(16)36-5)27(33)30-19-8-12-22-24(14-19)38-28(31-22)37-15-25(32)29-17(2)18-6-9-20(34-3)10-7-18/h6-14,17H,15H2,1-5H3,(H,29,32)(H,30,33)/t17-/m0/s1
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| InChIKey |
SJITUORNUSNUJC-KRWDZBQOSA-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