General Information of the Compound
| Compound ID |
CP0534208
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| Compound Name |
(R)-N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-1-(3-(trifluoromethyl)benzyl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C25H27F3N4O3S
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| Molecular Weight |
520.577
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(Cc4cccc(c4)C(F)(F)F)C3)sc12
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| InChI |
InChI=1S/C25H27F3N4O3S/c1-4-32(15(2)33)19-8-9-20(35-3)21-22(19)36-24(29-21)30-23(34)17-10-11-31(14-17)13-16-6-5-7-18(12-16)25(26,27)28/h5-9,12,17H,4,10-11,13-14H2,1-3H3,(H,29,30,34)/t17-/m1/s1
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| InChIKey |
ATSWPIVOBKHCEA-QGZVFWFLSA-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