General Information of the Compound
| Compound ID |
CP0559533
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| Compound Name |
4-[2-(dimethylamino)ethoxy]-2-methoxy-N-[2-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methylbenzamide
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| Formula |
C31H36N4O5S2
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| Molecular Weight |
608.786
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| Canonical SMILES |
COc1ccc(cc1)[C@H](C)NC(=O)CSc1nc2ccc(NC(=O)c3ccc(OCCN(C)C)c(C)c3OC)cc2s1
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| InChI |
InChI=1S/C31H36N4O5S2/c1-19-26(40-16-15-35(3)4)14-12-24(29(19)39-6)30(37)33-22-9-13-25-27(17-22)42-31(34-25)41-18-28(36)32-20(2)21-7-10-23(38-5)11-8-21/h7-14,17,20H,15-16,18H2,1-6H3,(H,32,36)(H,33,37)/t20-/m0/s1
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| InChIKey |
RDQFLNHNHUCDMY-FQEVSTJZSA-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