General Information of the Compound
| Compound ID |
CP0452731
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| Compound Name |
N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C28H29N3O3S
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| Molecular Weight |
487.625
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| Canonical SMILES |
COc1cc(Nc2nc(cs2)-c2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1
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| InChI |
InChI=1S/C28H29N3O3S/c1-32-27-19-22(11-14-26(27)33-18-17-31-15-5-6-16-31)29-28-30-25(20-35-28)21-9-12-24(13-10-21)34-23-7-3-2-4-8-23/h2-4,7-14,19-20H,5-6,15-18H2,1H3,(H,29,30)
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| InChIKey |
GCGJCQDSXWRBSQ-UHFFFAOYSA-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